Geometry & MOs

Info

ID:

125122

PubChem CID:

50910438

Reduced:

NORuSC13H16 (1)

Stoich.:

ABCDE13F16 (1)

Weight, g/mol:

357.812356

ΔHf, kcal/mol:

57.64

Dipole, Da:

7.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.873369

Charge, e:

 -4

Chem-info

IUPAC name:

N,N'-dioxidoethanediimidoyl dichloride;titanium

Drug info:

PubChemData

Smile

C1CCS(=[OH+])C1.C1=CC=C2C=NC=CC2=C1.[Ru+3]

DOS

IR

Vibrations