Geometry & MOs

Info

ID:	225966
PubChem CID:	87246500
Reduced:	SN2F3O3C6H7 (1)
Stoich.:	AB2C3D3E6F7 (1)
Weight, g/mol:	320.109625
ΔH_f, kcal/mol:	-241.74
Dipole, Da:	9.12
IP(EA), eV:	-9.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-[[3-methyl-5-nitro-2-(trifluoromethyl)imidazol-4-yl]methylamino]pent-2-enal

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)OS(=O)(=O)C

DOS

IR

Vibrations