Geometry & MOs

Info

ID:	389945
PubChem CID:	134996153
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	195.190678
ΔH_f, kcal/mol:	-55.38
Dipole, Da:	5.44
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethyl-4,6-dimethyl-3-aza-1-azonia-2-boranuidacyclohexane-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C[S@@](=N)(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations