Geometry & MOs

Info

ID:

179527

PubChem CID:

76494126

Reduced:

NO6C14H25 (1)

Stoich.:

AB6C14D25 (1)

Weight, g/mol:

509.296365

ΔHf, kcal/mol:

-306.14

Dipole, Da:

2.41

IP(EA), eV:

 -9.98(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-[5-hydroxy-5-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC(CC(=O)O)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations