Geometry & MOs

Info

ID:	426241
PubChem CID:	135142919
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	409.222623
ΔH_f, kcal/mol:	20.5
Dipole, Da:	1.54
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]-N-hydroxy-3-methoxypropanimidamide

Drug info:

PubChemData

Smile

C1=CNC2=NC=C3C(=C21)N=C(N3)CNS(=O)(=O)CCC#N

DOS

IR

Vibrations