Geometry & MOs

Info

ID:

309589

PubChem CID:

126549756

Reduced:

SH14C23 (2)

Stoich.:

AB14C23 (2)

Weight, g/mol:

412.334131

ΔHf, kcal/mol:

197.74

Dipole, Da:

0.15

IP(EA), eV:

 -8.33(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(S5)C7=C(S6)C=C(C=C7)C8=CC=C(C=C8)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations