Geometry & MOs

Info

ID:	24799
PubChem CID:	613675
Reduced:	N2S2O6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	438.091929
ΔH_f, kcal/mol:	-212.99
Dipole, Da:	3.11
IP(EA), eV:	-9.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-carbamoyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)N)OS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations