Geometry & MOs

Info

ID:	378604
PubChem CID:	134224696
Reduced:	FSO2N4C11H19 (1)
Stoich.:	ABC2D4E11F19 (1)
Weight, g/mol:	512.182237
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	1.49
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C/C(=N/N(C)C)/C(=N)CS(=O)C1=NOC(C1F)(C)C

DOS

IR

Vibrations