Geometry & MOs

Info

ID:	359213
PubChem CID:	127297632
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	340.193297
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	5.46
IP(EA), eV:	-9.5(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]cyclohexanesulfonamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations