Geometry & MOs

Info

ID:	152689
PubChem CID:	56311720
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	381.080157
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	5.19
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations