Geometry & MOs

Info

ID:	179759
PubChem CID:	76527228
Reduced:	SCl2O2N3C14H21 (1)
Stoich.:	AB2C2D3E14F21 (1)
Weight, g/mol:	506.280553
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	4.52
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methylpyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNCC(C)NS(=O)(=O)C1=CC2=C(C=C1)C=NC=C2.Cl.Cl

DOS

IR

Vibrations