Geometry & MOs

Info

ID:	86927
PubChem CID:	49890024
Reduced:	BrFNSO3H15C22 (1)
Stoich.:	ABCDE3F15G22 (1)
Weight, g/mol:	517.031763
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	3.33
IP(EA), eV:	-8.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Br

DOS

IR

Vibrations