Geometry & MOs

Info

ID:	338313
PubChem CID:	127259005
Reduced:	N2O3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	393.164833
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	5.96
IP(EA), eV:	-9.78(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-nitroanilino)-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C)C(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations