Geometry & MOs

Info

ID:	441145
PubChem CID:	135233290
Reduced:	SO4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	437.315461
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	3.57
IP(EA), eV:	-9.24(-1.09)
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]-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(OC1=O)CCCS)O

DOS

IR

Vibrations