Geometry & MOs

Info

ID:	297871
PubChem CID:	117635659
Reduced:	F4N4O4H30C33 (1)
Stoich.:	A4B4C4D30E33 (1)
Weight, g/mol:	861.201323
ΔH_f, kcal/mol:	-247.98
Dipole, Da:	6.91
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-3-amino-6-[2-[6-[[4-azido-7-[3-[(2R,3S,5R)-3,4-dihydroxy-5-[(phosphanylidyne-lambda5-phosphanylidene)phosphanyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]-7-oxoheptanoyl]amino]hexanoyl]hydrazinyl]-4,5-dioxooctanedioic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC(=O)C1=C(OC2=NC(=C(C=C12)C3=CC(=CC=C3)C(=O)NC4(CCC4)C(=C)N=COC)CCC(F)(F)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC(=O)C1=C(OC2=NC(=C(C=C12)C3=CC(=CC=C3)C(=O)NC4(CCC4)C(=C)N=COC)CCC(F)(F)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):