Geometry & MOs

Info

ID:	146527
PubChem CID:	53699874
Reduced:	OC8H14 (1)
Stoich.:	AB8C14 (1)
Weight, g/mol:	855.20456
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	1.95
IP(EA), eV:	-8.93(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-dodecylsulfonylphenyl)-N-[4-[2,4-di(propan-2-yl)phenyl]sulfanyl-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CCCCC=COC=C

DOS

IR

Vibrations