Geometry & MOs

Info

ID:	86557
PubChem CID:	49887099
Reduced:	ClNSO3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	518.97687
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	4.92
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations