Geometry & MOs

Info

ID:

334554

PubChem CID:

127253229

Reduced:

N2O5C18H19 (1)

Stoich.:

A2B5C18D19 (1)

Weight, g/mol:

436.17467

ΔHf, kcal/mol:

-132.18

Dipole, Da:

10.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793348

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-11-[3-(5-methoxyindol-1-yl)propanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=COC3=CC=CC=C3C2=O)C)C

DOS

IR

Vibrations