Geometry & MOs

Info

ID:	87588
PubChem CID:	49895656
Reduced:	INSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	532.99252
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	5.54
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4I)OC)/SC2=O

DOS

IR

Vibrations