Geometry & MOs

Info

ID:	321909
PubChem CID:	126667269
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	649.10782
ΔH_f, kcal/mol:	75.77
Dipole, Da:	6.69
IP(EA), eV:	-7.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,3-diazido-2-(azidomethyl)propan-2-yl] 2-(4-bromo-5-hydroxy-2-oxopyridin-1-yl)-4-[1,3-diazido-2-(azidomethyl)propan-2-yl]oxybutanoate

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

CN(C)C[C@@H]1CCCN1C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=NOC5=CC=CC=C54)OC

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

CN(C)C[C@@H]1CCCN1C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=NOC5=CC=CC=C54)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):