Geometry & MOs

Info

ID:

441490

PubChem CID:

135235308

Reduced:

SO2F3N5C17H18 (1)

Stoich.:

AB2C3D5E17F18 (1)

Weight, g/mol:

388.297745

ΔHf, kcal/mol:

-150.65

Dipole, Da:

10.0

IP(EA), eV:

 -9.57(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E)-5-hydroxy-5-methylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C(=C)C)C2=NC3=CC(=NC=C3N2C)C(F)(F)F

DOS

IR

Vibrations