Geometry & MOs

Info

ID:	38597
PubChem CID:	8137178
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	334.12772
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	2.99
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2CC2)OC3=CC=CC=C3

DOS

IR

Vibrations