Geometry & MOs

Info

ID:	86894
PubChem CID:	49889910
Reduced:	BrFSN2O2H18C23 (1)
Stoich.:	ABCD2E2F18G23 (1)
Weight, g/mol:	435.130443
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	6.44
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-butoxynaphthalen-1-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations