Geometry & MOs

Info

ID:

127549

PubChem CID:

51005822

Reduced:

NC12H15 (2)

Stoich.:

AB12C15 (2)

Weight, g/mol:

625.391328

ΔHf, kcal/mol:

68.83

Dipole, Da:

1.07

IP(EA), eV:

-8.6(0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1R,2R,4S)-1-[di(propan-2-yl)sulfamoylmethyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 3-[(1R,12bR)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2C[C@@H]3C[C@H]2[C@@H](N3[C@@H](C)C4=CC=CC=C4)CC=C

DOS

IR

Vibrations