Geometry & MOs

Info

ID:	339884
PubChem CID:	127261893
Reduced:	O3N6C11H18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	-104.67
Dipole, Da:	9.42
IP(EA), eV:	-9.0(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN([C@@H](CC1=CN=CN1)C(=O)N)C(=O)CNC(=O)CN

DOS

IR

Vibrations