Geometry & MOs

Info

ID:

397202

PubChem CID:

135029882

Reduced:

N2O3H16C23 (1)

Stoich.:

A2B3C16D23 (1)

Weight, g/mol:

836.493348

ΔHf, kcal/mol:

26.33

Dipole, Da:

1.88

IP(EA), eV:

 -8.8(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-hydroxy-10,16-bis(2,4,6-tritert-butylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3(C2OC4=CC=CC=C4C3=O)C=O)C5=CC=CC=C5

DOS

IR

Vibrations