Geometry & MOs

Info

ID:	154898
PubChem CID:	56314446
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	1.23
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-phenylbutyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations