Geometry & MOs

Info

ID:

52278

PubChem CID:

12015093

Reduced:

ON2C17H20 (1)

Stoich.:

AB2C17D20 (1)

Weight, g/mol:

964.441737

ΔHf, kcal/mol:

13.73

Dipole, Da:

1.41

IP(EA), eV:

-8.69(0.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

dimethyl 1-[(11-azido-1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ylidene)amino]-1',9'-ditert-butyl-3',7'-dimethylspiro[1,2-diaza-3lambda5-phosphacyclopenta-2,4-diene-3,11'-5H-benzo[d][1,3,2]benzodioxaphosphocine]-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3O

DOS

IR

Vibrations