Geometry & MOs

Info

ID:

382991

PubChem CID:

134974463

Reduced:

N3O4H21C26 (1)

Stoich.:

A3B4C21D26 (1)

Weight, g/mol:

1099.9731

ΔHf, kcal/mol:

21.36

Dipole, Da:

8.23

IP(EA), eV:

 -7.99(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(21S,23R,25S)-5,11,17,23-tetraiodo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18-decaene

Drug info:

PubChemData

Smile

COC(=C=C(C1=[N+](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)[O-]

DOS

IR

Vibrations