Geometry & MOs

Info

ID:	380226
PubChem CID:	134970600
Reduced:	S2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	324.172545
ΔH_f, kcal/mol:	-165.62
Dipole, Da:	3.59
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,6-dimethyl-1-phenyl-4,8-dioxaspiro[2.5]octan-2-yl]-phenylmethanol

Drug info:

PubChemData

Smile

CC(C)C(=O)CCC1C(=CCC2[C@@]1(CCC[C@@]2(C)C(=O)OC)C)C3SCCS3

DOS

IR

Vibrations