Geometry & MOs

Info

ID:

237726

PubChem CID:

92721083

Reduced:

N4O4H24C29 (1)

Stoich.:

A4B4C24D29 (1)

Weight, g/mol:

492.179755

ΔHf, kcal/mol:

-51.03

Dipole, Da:

6.85

IP(EA), eV:

 -8.41(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R)-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(=CC=C1)C2=C3C(=C4N2C5=CC=CC=C5N[C@H]4C6=CC7=C(C=C6)OCO7)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations