Geometry & MOs

Info

ID:	60420
PubChem CID:	26685447
Reduced:	N2O3Cl4H10C17 (1)
Stoich.:	A2B3C4D10E17 (1)
Weight, g/mol:	463.13795
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	2.28
IP(EA), eV:	-9.63(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] (2S)-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations