Geometry & MOs

Info

ID:	379070
PubChem CID:	134352240
Reduced:	F2N2P2C8O9H20 (1)
Stoich.:	A2B2C2D8E9F20 (1)
Weight, g/mol:	841.309426
ΔH_f, kcal/mol:	-547.61
Dipole, Da:	5.17
IP(EA), eV:	-10.04(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

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

C(C(CO)COP(=O)(O)OCC(CNF)COP(=O)(O)O)NF

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

C(C(CO)COP(=O)(O)OCC(CNF)COP(=O)(O)O)NF

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):