Geometry & MOs

Info

ID:	339958
PubChem CID:	127261967
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	399.154269
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	6.34
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-[2-[(2-aminoacetyl)amino]acetyl]-4-nitroanilino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](CC3=CC=CC=C3)C(=O)N)C(=O)CN

DOS

IR

Vibrations