Geometry & MOs

Info

ID:

298608

PubChem CID:

117651806

Reduced:

O3F4N4H16C18 (1)

Stoich.:

A3B4C4D16E18 (1)

Weight, g/mol:

576.28142

ΔHf, kcal/mol:

-264.25

Dipole, Da:

5.33

IP(EA), eV:

 -9.32(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6aS,6bR,10S,12aR)-10-acetyloxy-14-bromo-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC(=N1)N)C2=C(C=CC(=C2)NC(=O)OC3=NC=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations