Geometry & MOs

Info

ID:	426243
PubChem CID:	135142924
Reduced:	SO2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	6.35
Dipole, Da:	5.21
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethyl)cyclohexyl]-N-(oxetan-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)C2=NC3=C4C=CNC4=NC=C3N2

DOS

IR

Vibrations