Geometry & MOs

Info

ID:	134908
PubChem CID:	51780913
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	5.73
IP(EA), eV:	-9.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)[C@@H]3CCC(=O)N3

DOS

IR

Vibrations