Geometry & MOs

Info

ID:

335198

PubChem CID:

127254059

Reduced:

N2O7C28H34 (1)

Stoich.:

A2B7C28D34 (1)

Weight, g/mol:

553.232519

ΔHf, kcal/mol:

-222.13

Dipole, Da:

4.75

IP(EA), eV:

 -8.82(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[2-(5-methoxy-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

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=CO2)N3CCCCCC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations