Geometry & MOs

Info

ID:

448960

PubChem CID:

135294776

Reduced:

ON3S3C13H16 (2)

Stoich.:

AB3C3D13E16 (2)

Weight, g/mol:

462.36618

ΔHf, kcal/mol:

48.7

Dipole, Da:

4.27

IP(EA), eV:

 -8.92(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5E,7E)-2,8-dimethyldeca-3,5,7,9-tetraen-5-yl]-2-ethyl-5-[(1-fluoro-3,3-dimethylcyclopentyl)methyl]-1-[(E)-3-methylidenepent-1-enyl]cyclopenta-1,3-diene

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=C(NCCC(=S)NCCC(=S)NCCNC(=S)CNC(=S)CNC(=C2C=CC(=O)C=C2)S)S

DOS

IR

Vibrations