Geometry & MOs

Info

ID:	87872
PubChem CID:	49898147
Reduced:	SCl2N2O2H16C18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	596.964113
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	8.46
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations