Geometry & MOs

Info

ID:	124913
PubChem CID:	50903091
Reduced:	FNPO9C20H35 (1)
Stoich.:	ABCD9E20F35 (1)
Weight, g/mol:	332.125988
ΔH_f, kcal/mol:	-537.48
Dipole, Da:	2.25
IP(EA), eV:	-10.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dihydroxy-2-[(1R)-1-(2-hydroxyethoxy)-4-methylpent-3-enyl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCOP(=O)(C[C@@]1(C[C@]1(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)F)OCC

DOS

IR

Vibrations