Geometry & MOs

Info

ID:

37049

PubChem CID:

8016412

Reduced:

N2O5H20C24 (1)

Stoich.:

A2B5C20D24 (1)

Weight, g/mol:

397.142641

ΔHf, kcal/mol:

-102.17

Dipole, Da:

5.13

IP(EA), eV:

 -8.3(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C)OC1=CC2=C(C=C1)N3C4=C2C=CN=C4C5=C(C3=O)C(=C(C=C5)OC)OC

DOS

IR

Vibrations