Geometry & MOs

Info

ID:

169022

PubChem CID:

75055148

Reduced:

NO10C34H47 (1)

Stoich.:

AB10C34D47 (1)

Weight, g/mol:

663.305489

ΔHf, kcal/mol:

-453.15

Dipole, Da:

6.52

IP(EA), eV:

 -9.16(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-[3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-4-(4-fluorophenyl)-2-hydroxy-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=C2CC(OC(=O)C2=C(C=C1O)O)C(C)C(CC3C(CCC(O3)C(NC(=O)C(C(CC4=CC=CC=C4)OC)O)OC)(C)C)O

DOS

IR

Vibrations