Geometry & MOs

Info

ID:	129186
PubChem CID:	51071888
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	9.95
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations