Geometry & MOs

Info

ID:	87997
PubChem CID:	49899532
Reduced:	NCl2S2O5H17C24 (1)
Stoich.:	AB2C2D5E17F24 (1)
Weight, g/mol:	546.981477
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OC(=O)C4=CC=CS4

DOS

IR

Vibrations