Geometry & MOs

Info

ID:

222710

PubChem CID:

85332058

Reduced:

SO4C29H38 (1)

Stoich.:

AB4C29D38 (1)

Weight, g/mol:

482.33961

ΔHf, kcal/mol:

-182.75

Dipole, Da:

2.34

IP(EA), eV:

 -8.36(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3C(C=C2C1)SC5=CC=CC=C5)CCC4OC(=O)C)C)C

DOS

IR

Vibrations