Geometry & MOs

Info

ID:	86850
PubChem CID:	49889674
Reduced:	BrFNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	384.058006
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	5.83
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations