Geometry & MOs

Info

ID:	441175
PubChem CID:	135233422
Reduced:	NO2C22H35 (1)
Stoich.:	AB2C22D35 (1)
Weight, g/mol:	486.266462
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	2.65
IP(EA), eV:	-8.87(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]-4-formylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N/C=C/CCC(C)/C(=C/C(=C(\C)/C(=C)C(C)C)/C)/OC=C

DOS

IR

Vibrations