Geometry & MOs

Info

ID:	86965
PubChem CID:	49890272
Reduced:	ClNSO5H12C18 (1)
Stoich.:	ABCD5E12F18 (1)
Weight, g/mol:	486.065235
ΔH_f, kcal/mol:	-134.53
Dipole, Da:	5.01
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)S2)OC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations