Geometry & MOs

Info

ID:

419229

PubChem CID:

135107804

Reduced:

O2N3C12H17 (3)

Stoich.:

A2B3C12D17 (3)

Weight, g/mol:

431.172417

ΔHf, kcal/mol:

-209.6

Dipole, Da:

10.61

IP(EA), eV:

 -9.12(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-9-oxa-1,13,14,15,20-pentazatetracyclo[20.2.2.113,16.03,8]heptacosa-3(8),4,6,14,16(27)-pentaene-2,19-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C)C(C)C

DOS

IR

Vibrations