Geometry & MOs

Info

ID:	87774
PubChem CID:	49897185
Reduced:	ISN2O6C19H21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	586.003813
ΔH_f, kcal/mol:	-184.04
Dipole, Da:	1.59
IP(EA), eV:	-8.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC

DOS

IR

Vibrations