Geometry & MOs

Info

ID:	87393
PubChem CID:	49894479
Reduced:	SN2O5C30H30 (1)
Stoich.:	AB2C5D30E30 (1)
Weight, g/mol:	536.080885
ΔH_f, kcal/mol:	-142.25
Dipole, Da:	3.68
IP(EA), eV:	-8.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OCC(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations