Geometry & MOs

Info

ID:	86807
PubChem CID:	49889477
Reduced:	BrFSN2O5H10C17 (1)
Stoich.:	ABCD2E5F10G17 (1)
Weight, g/mol:	494.094786
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	5.16
IP(EA), eV:	-10.0(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C(=CC(=C3)[N+](=O)[O-])Br)O)/SC2=O)F

DOS

IR

Vibrations