Geometry & MOs

Info

ID:

222898

PubChem CID:

85332979

Reduced:

O4N6C33H48 (1)

Stoich.:

A4B6C33D48 (1)

Weight, g/mol:

592.424008

ΔHf, kcal/mol:

-160.63

Dipole, Da:

6.46

IP(EA), eV:

 -9.04(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-[1-(5-propyl-1H-imidazol-2-yl)cyclopropyl]butyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3=CC(=C(C(=C3)C)C(=O)N4CCCC4)C)C5=CNN=C5)C(C(C)C)O

DOS

IR

Vibrations