Geometry & MOs

Info

ID:	152687
PubChem CID:	56311716
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	391.145344
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	4.46
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC)C)OC

DOS

IR

Vibrations