Geometry & MOs

Info

ID:	371299
PubChem CID:	127345577
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	4.25
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pyrazol-1-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)C2=CC(=NC=C2)N3C=CC=N3

DOS

IR

Vibrations