Geometry & MOs

Info

ID:

215139

PubChem CID:

85084234

Reduced:

SCl2F3P3N5O13C14H19 (1)

Stoich.:

AB2C3D3E5F13G14H19 (1)

Weight, g/mol:

720.134113

ΔHf, kcal/mol:

-839.68

Dipole, Da:

6.67

IP(EA), eV:

 -9.22(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]phenoxy]methyl-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC(P(=O)(O)O)(Cl)Cl)O)O)SCCC(F)(F)F)N

DOS

IR

Vibrations