Geometry & MOs

Info

ID:

403376

PubChem CID:

135059923

Reduced:

N2O2S2C12H13 (1)

Stoich.:

A2B2C2D12E13 (1)

Weight, g/mol:

114.084479

ΔHf, kcal/mol:

40.35

Dipole, Da:

7.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775266

Charge, e:

 0

Chem-info

IUPAC name:

fluoromethylidenecyclohexane

Drug info:

PubChemData

Smile

C1CC[N+](=C2SC(S2)C3=CC(=CC=C3)[N+](=O)[O-])C1

DOS

IR

Vibrations