Geometry & MOs

Info

ID:

221711

PubChem CID:

85286065

Reduced:

N2O8H34C35 (1)

Stoich.:

A2B8C34D35 (1)

Weight, g/mol:

610.30831

ΔHf, kcal/mol:

-235.43

Dipole, Da:

4.03

IP(EA), eV:

 -8.92(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-benzoyl-3-(3-benzoyl-2-hydroxy-2-phenyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl)cyclohexyl]-1-phenylethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)O)C=CC(=O)NCCC5=CC=C(C=C5)O

DOS

IR

Vibrations