Geometry & MOs

Info

ID:	383703
PubChem CID:	134975576
Reduced:	O2C15H30 (1)
Stoich.:	A2B15C30 (1)
Weight, g/mol:	172.092186
ΔH_f, kcal/mol:	-150.98
Dipole, Da:	1.94
IP(EA), eV:	-9.49(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-2,6-dimethyl-2-methylsulfanylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]([C@@H](C(C)(C)C)O)C(=O)C(C)(C)C

DOS

IR

Vibrations