Geometry & MOs

Info

ID:	86983
PubChem CID:	49890348
Reduced:	BrNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	416.000048
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	4.95
IP(EA), eV:	-9.27(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations