Geometry & MOs

Info

ID:	382126
PubChem CID:	134973074
Reduced:	O9C16H24 (1)
Stoich.:	A9B16C24 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-416.71
Dipole, Da:	2.57
IP(EA), eV:	-10.44(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-3,4-dihydroxy-2-[(1R,2S,3R)-2-hydroxy-3-methyl-5-oxocyclohexyl]-5-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)OC(C3C2OC(O3)(C)C)C4CC(C(C(=O)O4)O)O)C

DOS

IR

Vibrations