Geometry & MOs

Info

ID:

46363

PubChem CID:

10524081

Reduced:

SN2O2H16C23 (1)

Stoich.:

AB2C2D16E23 (1)

Weight, g/mol:

384.214803

ΔHf, kcal/mol:

38.72

Dipole, Da:

5.52

IP(EA), eV:

 -8.79(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3S,6S,7R,9S,10R,11S,13R,14R)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C3C4=CC=CC=C4N(C3=C2)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations