Geometry & MOs

Info

ID:	87491
PubChem CID:	49894962
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	3.37
IP(EA), eV:	-8.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C

DOS

IR

Vibrations