Geometry & MOs

Info

ID:	410296
PubChem CID:	135083087
Reduced:	SO5C12H20 (1)
Stoich.:	AB5C12D20 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-242.36
Dipole, Da:	2.02
IP(EA), eV:	-9.11(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6S)-4-hydroxy-2,2,5,6-tetramethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)S)C

DOS

IR

Vibrations