Geometry & MOs

Info

ID:

193652

PubChem CID:

78419490

Reduced:

NO8C31H35 (1)

Stoich.:

AB8C31D35 (1)

Weight, g/mol:

533.241352

ΔHf, kcal/mol:

-312.66

Dipole, Da:

6.96

IP(EA), eV:

 -9.03(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(4-hydroxy-3,5-dimethylphenyl)-6a,8,9-trimethyl-1,3,7,10-tetraoxo-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C2CC3C4C(CC=C3C(C2(C1=O)C)C5=C(C=CC=C5OC)O)C(=O)N(C4=O)CCCCCC(=O)O

DOS

IR

Vibrations