Geometry & MOs

Info

ID:

385978

PubChem CID:

134980455

Reduced:

SN3O3C21H25 (1)

Stoich.:

AB3C3D21E25 (1)

Weight, g/mol:

456.360345

ΔHf, kcal/mol:

-41.79

Dipole, Da:

6.12

IP(EA), eV:

 -9.18(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C(=CN=C1CCC2=CC=CC=C2)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations