Geometry & MOs

Info

ID:	129213
PubChem CID:	51071951
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	429.145534
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	7.14
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-chlorobenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations