Geometry & MOs

Info

ID:	86743
PubChem CID:	49888820
Reduced:	ClNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	530.97068
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	4.67
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations