Geometry & MOs

Info

ID:

220403

PubChem CID:

85182415

Reduced:

NO9C24H31 (1)

Stoich.:

AB9C24D31 (1)

Weight, g/mol:

477.183461

ΔHf, kcal/mol:

-383.32

Dipole, Da:

3.95

IP(EA), eV:

 -8.55(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-11,12-dimethyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,9,11-tetraene-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)OCC1=C2C(=C(C=C1)OC)OC3C2(C(CCC3OC(=O)C)OC(=O)C)CCN(C)C=O

DOS

IR

Vibrations