Geometry & MOs

Info

ID:	358574
PubChem CID:	127296263
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	4.5
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-(5-methylpyridin-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CS(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations