Geometry & MOs

Info

ID:

375562

PubChem CID:

134213949

Reduced:

N2C73H78 (1)

Stoich.:

A2B73C78 (1)

Weight, g/mol:

353.085066

ΔHf, kcal/mol:

111.08

Dipole, Da:

4.33

IP(EA), eV:

 -7.66(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,9,9-trioxo-2,4-di(propan-2-yl)-[1,4]benzothiaphosphinino[2,3-b]furan-3-amine

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC2=C(C=C1)C3=C(N2C4=CC5=C(C=C4)C6=C(C5(C7=CC=CC=C7)C8=CC=CC=C8)C=C(C=C6)N(C9=CC=C(C=C9)C1CCCCC1)C1=CC=C(C=C1)C1CCCCC1)C=C(C=C3)C(C)(CC)CC

DOS

IR

Vibrations