Geometry & MOs

Info

ID:

229842

PubChem CID:

87569342

Reduced:

SC2O2N3H4 (1)

Stoich.:

AB2C2D3E4 (1)

Weight, g/mol:

460.282072

ΔHf, kcal/mol:

47.36

Dipole, Da:

1.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.845431

Charge, e:

 -6

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;2-propan-2-ylphenol;titanium

Drug info:

PubChemData

Smile

CN=C(N[N+](=O)[O-])[S-]

DOS

IR

Vibrations