Geometry & MOs

Info

ID:	134907
PubChem CID:	51780410
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-192.97
Dipole, Da:	3.28
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C)[C@@H](C1=CC(=C(C=C1)O)OC)C(=O)NC2CCCCC2

DOS

IR

Vibrations