Geometry & MOs

Info

ID:	171085
PubChem CID:	75325872
Reduced:	SCl2N2O3H20C21 (1)
Stoich.:	AB2C2D3E20F21 (1)
Weight, g/mol:	532.99252
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	8.03
IP(EA), eV:	-8.28(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations