Geometry & MOs

Info

ID:	152780
PubChem CID:	56311848
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	5.96
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

DOS

IR

Vibrations