Geometry & MOs

Info

ID:	152888
PubChem CID:	56311974
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	396.05467
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	8.44
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-nitrophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations