Geometry & MOs

Info

ID:

392215

PubChem CID:

135013707

Reduced:

SN3O13H43C47 (1)

Stoich.:

AB3C13D43E47 (1)

Weight, g/mol:

357.155432

ΔHf, kcal/mol:

-401.78

Dipole, Da:

2.92

IP(EA), eV:

 -8.5(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-sulfanylidene-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphospholidin-2-ium

Drug info:

PubChemData

Smile

COC(=O)[C@H](CNC(=S)N[C@@H]1[C@H](C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations