Geometry & MOs

Info

ID:

220003

PubChem CID:

85165133

Reduced:

N4O6H34C37 (1)

Stoich.:

A4B6C34D37 (1)

Weight, g/mol:

630.30783

ΔHf, kcal/mol:

-150.59

Dipole, Da:

5.45

IP(EA), eV:

 -8.57(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[3-[4-(diaminomethylideneamino)phenyl]-2-[[3-(4-fluorophenyl)-2-(3-phenylprop-2-enoylamino)propanoyl]amino]propanoyl]amino]pentanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations