Geometry & MOs

Info

ID:

334052

PubChem CID:

127252604

Reduced:

O3N5H15C20 (1)

Stoich.:

A3B5C15D20 (1)

Weight, g/mol:

523.221954

ΔHf, kcal/mol:

-11.23

Dipole, Da:

3.83

IP(EA), eV:

 -8.81(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[2-(1H-indol-3-yl)ethyl]-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CNN=C5

DOS

IR

Vibrations