Geometry & MOs

Info

ID:	168975
PubChem CID:	75048027
Reduced:	FON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	470.190023
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	4.74
IP(EA), eV:	-8.37(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C2CC(NN2)C3=CC(=CC=C3)OCCF

DOS

IR

Vibrations