Geometry & MOs

Info

ID:

49732

PubChem CID:

11533681

Reduced:

N3O3C29H43 (1)

Stoich.:

A3B3C29D43 (1)

Weight, g/mol:

518.261949

ΔHf, kcal/mol:

-122.42

Dipole, Da:

3.04

IP(EA), eV:

 -8.73(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OCC=C)CC4CCCCC4

DOS

IR

Vibrations