Geometry & MOs

Info

ID:	86842
PubChem CID:	49889627
Reduced:	BrFNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	517.031763
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations