Geometry & MOs

Info

ID:	152781
PubChem CID:	56311849
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	433.119523
ΔH_f, kcal/mol:	-130.54
Dipole, Da:	6.81
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations