Geometry & MOs

Info

ID:	129190
PubChem CID:	51071899
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	429.145534
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	4.46
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCl)C(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations