Geometry & MOs

Info

ID:

44327

PubChem CID:

10502773

Reduced:

ON4C27H34 (1)

Stoich.:

AB4C27D34 (1)

Weight, g/mol:

430.344695

ΔHf, kcal/mol:

-8.4

Dipole, Da:

4.67

IP(EA), eV:

 -8.23(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methyl-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=CNC3=C1)C[C@@H]4[C@@H]2C[C@H](CN4C)CNC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations