Geometry & MOs

Info

ID:

17114

PubChem CID:

484531

Reduced:

OPS2N4H25C35 (1)

Stoich.:

ABC2D4E25F35 (1)

Weight, g/mol:

612.120741

ΔHf, kcal/mol:

125.56

Dipole, Da:

13.13

IP(EA), eV:

 -8.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-diphenyl-2-sulfanylidene-5-[(triphenyl-lambda5-phosphanylidene)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)SC2=S

DOS

IR

Vibrations