Geometry & MOs

Info

ID:

230443

PubChem CID:

87570914

Reduced:

C2N3O3H7 (1)

Stoich.:

A2B3C3D7 (1)

Weight, g/mol:

756.055884

ΔHf, kcal/mol:

-53.43

Dipole, Da:

5.71

IP(EA), eV:

-11.32(-1.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[[3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-5-[[2-[[3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C.C(=O)(N)N[N+](=O)[O-]

DOS

IR

Vibrations