Geometry & MOs

Info

ID:	359946
PubChem CID:	127300080
Reduced:	NSO4C12H23 (1)
Stoich.:	ABC4D12E23 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-184.81
Dipole, Da:	6.66
IP(EA), eV:	-9.67(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)S(=O)(=O)CC2CCOC2

DOS

IR

Vibrations