Geometry & MOs

Info

ID:	163766
PubChem CID:	74374193
Reduced:	SBr2O2F5H9C21 (1)
Stoich.:	AB2C2D5E9F21 (1)
Weight, g/mol:	544.93558
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	3.09
IP(EA), eV:	-9.02(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-3-(3-hydroxy-4-nitrophenyl)-1-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC(=CC2=CC(=C(C=C2)O)Br)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Br

DOS

IR

Vibrations