Geometry & MOs

Info

ID:	129191
PubChem CID:	51071900
Reduced:	ClN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	1.85
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)COC2=CC=C(C=C2)Cl)C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations