Geometry & MOs

Info

ID:	218056
PubChem CID:	85088801
Reduced:	PO4C24H41 (1)
Stoich.:	AB4C24D41 (1)
Weight, g/mol:	424.282489
ΔH_f, kcal/mol:	-288.85
Dipole, Da:	2.54
IP(EA), eV:	-8.82(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dihydroxy-7-[6-methyl-8-(2-methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC1=C2CC(CCC2C3(CCCC(C3C1)(C)C)C)(C)C=C

DOS

IR

Vibrations