Geometry & MOs

Info

ID:	171491
PubChem CID:	75384107
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	5.81
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-(2,6-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)NC2CCOC3(C2)CCSC3

DOS

IR

Vibrations