Geometry & MOs

Info

ID:	64436
PubChem CID:	29200637
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-131.63
Dipole, Da:	8.32
IP(EA), eV:	-8.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)C2=CC3=C(C=C2)N([C@H](C3)C)S(=O)(=O)C

DOS

IR

Vibrations