Geometry & MOs

Info

ID:	218109
PubChem CID:	85088896
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	430.344695
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	5.17
IP(EA), eV:	-8.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-(5-hydroxy-5,6,6-trimethylheptan-2-yl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCC1=CC(=C(S1)C(=O)NC(C)(C)C)C2C(CCC3=CC(=C(C=C23)OC)OC)N

DOS

IR

Vibrations