Geometry & MOs

Info

ID:	17420
PubChem CID:	497495
Reduced:	NOSC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	2.78
IP(EA), eV:	-8.95(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H](CC(C1)(C)C)O)CN=C(C2=CC=CC=C2)S

DOS

IR

Vibrations