Geometry & MOs

Info

ID:

328136

PubChem CID:

126692200

Reduced:

O3N4C24H28 (1)

Stoich.:

A3B4C24D28 (1)

Weight, g/mol:

425.137556

ΔHf, kcal/mol:

-34.1

Dipole, Da:

3.02

IP(EA), eV:

 -8.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2R,5R)-5-hydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(C3C(=C2)NC(=O)N3)C(C4CCCCC4)(C5=CC=CC=N5)O

DOS

IR

Vibrations