Geometry & MOs

Info

ID:

43823

PubChem CID:

10321842

Reduced:

ON4C29H36 (1)

Stoich.:

AB4C29D36 (1)

Weight, g/mol:

456.360345

ΔHf, kcal/mol:

-5.61

Dipole, Da:

4.53

IP(EA), eV:

 -8.92(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6aS,6bR,12aR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)NC(=O)N[C@H]2CCN(C2)C(CC3=CC=CC=C3)CC4=CC=CC=C4)C

DOS

IR

Vibrations