Geometry & MOs

Info

ID:	191434
PubChem CID:	78146052
Reduced:	ON2S2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	314.93296
ΔH_f, kcal/mol:	55.54
Dipole, Da:	2.06
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(ethylideneamino) 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanoate

Drug info:

PubChemData

Smile

C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)S

DOS

IR

Vibrations