Geometry & MOs

Info

ID:	88190
PubChem CID:	49902230
Reduced:	BrClFNSO4H18C25 (1)
Stoich.:	ABCDEF4G18H25 (1)
Weight, g/mol:	522.97008
ΔH_f, kcal/mol:	-118.41
Dipole, Da:	4.67
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations