Geometry & MOs

Info

ID:	272841
PubChem CID:	103761771
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	5.96
IP(EA), eV:	-9.94(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C3C(=O)NCCCS(=O)(=O)N

DOS

IR

Vibrations