Geometry & MOs

Info

ID:

83620

PubChem CID:

49859108

Reduced:

NO2C14H17 (1)

Stoich.:

AB2C14D17 (1)

Weight, g/mol:

500.288637

ΔHf, kcal/mol:

-78.5

Dipole, Da:

2.18

IP(EA), eV:

 -8.94(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5aR,8R,9S,9aS,9bR)-6-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]imino-2-ethyl-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](O[C@]2(C1)C3=CC=CC=C3NC2=O)C

DOS

IR

Vibrations