Geometry & MOs

Info

ID:	87772
PubChem CID:	49897181
Reduced:	ISN2O6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	532.097408
ΔH_f, kcal/mol:	-176.1
Dipole, Da:	4.39
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)I)OC

DOS

IR

Vibrations