Geometry & MOs

Info

ID:

160991

PubChem CID:

57390458

Reduced:

ClN2O4C29H35 (1)

Stoich.:

AB2C4D29E35 (1)

Weight, g/mol:

726.340398

ΔHf, kcal/mol:

-176.17

Dipole, Da:

6.6

IP(EA), eV:

 -9.26(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)-5-[naphthalen-1-yl-[2,4,6-trihydroxy-3,5-bis(3-methylbutanoyl)phenyl]methyl]phenyl]butan-1-one

Drug info:

PubChemData

Smile

CNCCNC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4.Cl

DOS

IR

Vibrations