Geometry & MOs

Info

ID:	163765
PubChem CID:	74374190
Reduced:	Cl2O2N4C29H36 (1)
Stoich.:	A2B2C4D29E36 (1)
Weight, g/mol:	579.85897
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	4.89
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCN2CCCC2CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl

DOS

IR

Vibrations