Geometry & MOs

Info

ID:

193657

PubChem CID:

78419674

Reduced:

NO6C27H29 (1)

Stoich.:

AB6C27D29 (1)

Weight, g/mol:

549.236267

ΔHf, kcal/mol:

-214.68

Dipole, Da:

3.82

IP(EA), eV:

 -8.94(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(3-ethoxy-4-hydroxyphenyl)-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=C(C(=O)C2(C(C1=O)CC3C4C(CC=C3C2C5=CC=C(C=C5)OCCO)C(=O)NC4=O)C)C

DOS

IR

Vibrations