Geometry & MOs

Info

ID:	86986
PubChem CID:	49890357
Reduced:	ClNSO3H8C11 (1)
Stoich.:	ABCD3E8F11 (1)
Weight, g/mol:	483.110021
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	4.54
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations