Geometry & MOs

Info

ID:	227202
PubChem CID:	87560561
Reduced:	SH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	462.129253
ΔH_f, kcal/mol:	59.39
Dipole, Da:	1.8
IP(EA), eV:	-8.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(6-chloropyridin-3-yl)sulfanyl-1-(5-fluoro-2-methylphenyl)pyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CSC1=CC=CC2=CC3=CC=CC=C3C=C21

DOS

IR

Vibrations