Geometry & MOs

Info

ID:	171160
PubChem CID:	75336947
Reduced:	ClNS2O8H16C20 (1)
Stoich.:	ABC2D8E16F20 (1)
Weight, g/mol:	461.033601
ΔH_f, kcal/mol:	-255.02
Dipole, Da:	7.04
IP(EA), eV:	-8.83(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)OS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations