Geometry & MOs

Info

ID:	149258
PubChem CID:	53788930
Reduced:	SN2O6C32H40 (1)
Stoich.:	AB2C6D32E40 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-173.75
Dipole, Da:	7.26
IP(EA), eV:	-8.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminophenyl)sulfanylethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C2=C1C=C(C=C2)O)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations