Geometry & MOs

Info

ID:

410460

PubChem CID:

135083257

Reduced:

PO3N4H32C38 (1)

Stoich.:

AB3C4D32E38 (1)

Weight, g/mol:

432.06401

ΔHf, kcal/mol:

136.02

Dipole, Da:

11.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.900806

Charge, e:

 0

Chem-info

IUPAC name:

[[(Z)-N-diphenoxyphosphoryl-C-phenylcarbonimidoyl]amino]phosphonic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/N(C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations