Geometry & MOs

Info

ID:	88009
PubChem CID:	49899699
Reduced:	SCl2N2O3H20C24 (1)
Stoich.:	AB2C2D3E20F24 (1)
Weight, g/mol:	596.964113
ΔH_f, kcal/mol:	-59.88
Dipole, Da:	11.57
IP(EA), eV:	-8.53(-0.83)
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-ethoxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations