Geometry & MOs

Info

ID:	381739
PubChem CID:	134972557
Reduced:	O2S2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	3.99
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aR,7S,10aR)-3a,4,7-trimethyl-3,4,5,6,6a,8,9,10-octahydro-2H-benzo[h][1]benzofuran-7-yl]methanol

Drug info:

PubChemData

Smile

CC(=O)CC(=O)SCCCS

DOS

IR

Vibrations