Geometry & MOs

Info

ID:	217302
PubChem CID:	85087582
Reduced:	SO3C20H30 (1)
Stoich.:	AB3C20D30 (1)
Weight, g/mol:	350.282095
ΔH_f, kcal/mol:	-160.15
Dipole, Da:	5.68
IP(EA), eV:	-8.85(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)OC(SC2(C)C)C(C3=CC=CC=C3)(C(C)O)O

DOS

IR

Vibrations