Geometry & MOs

Info

ID:

237725

PubChem CID:

92721082

Reduced:

SO2N4H22C26 (1)

Stoich.:

AB2C4D22E26 (1)

Weight, g/mol:

492.179755

ΔHf, kcal/mol:

22.43

Dipole, Da:

5.61

IP(EA), eV:

 -8.26(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-9-(1,3-benzodioxol-5-yl)-12,14-dimethyl-17-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=C4N2C5=CC=CC=C5N[C@@H]4C6=CC=CS6)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations