Geometry & MOs

Info

ID:

448917

PubChem CID:

135294489

Reduced:

SF2N4C23H34 (1)

Stoich.:

AB2C4D23E34 (1)

Weight, g/mol:

388.297745

ΔHf, kcal/mol:

-53.22

Dipole, Da:

5.15

IP(EA), eV:

 -8.41(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[(2E)-2-[1-[(3-hydroxy-3-methylbutoxy)methyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(=N)N(C=CN(CCC(C1CCC(CC1)(F)F)C2=CC=CS2)C=C)C(=N)C

DOS

IR

Vibrations