Geometry & MOs

Info

ID:	191569
PubChem CID:	78164834
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	459.230411
ΔH_f, kcal/mol:	-111.55
Dipole, Da:	2.41
IP(EA), eV:	-8.6(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-ylsulfonyl)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1C)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations