Geometry & MOs

Info

ID:

193651

PubChem CID:

78419382

Reduced:

ClNO7H32C33 (1)

Stoich.:

ABC7D32E33 (1)

Weight, g/mol:

549.236267

ΔHf, kcal/mol:

-185.2

Dipole, Da:

6.9

IP(EA), eV:

 -8.98(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(2-hydroxy-6-methoxyphenyl)-6a,8-dimethyl-1,3,7,10-tetraoxo-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C=C(C(=O)C5(C4C6=C(C=C(C=C6OC)O)OC)C)C)Cl

DOS

IR

Vibrations