Geometry & MOs

Info

ID:	178092
PubChem CID:	76275929
Reduced:	ClSO3N4C23H31 (1)
Stoich.:	ABC3D4E23F31 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	5.88
IP(EA), eV:	-8.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations