Geometry & MOs

Info

ID:	66105
PubChem CID:	46493478
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	5.83
IP(EA), eV:	-8.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations