Geometry & MOs

Info

ID:	221149
PubChem CID:	85257033
Reduced:	SCl2O3N4C6H8 (1)
Stoich.:	AB2C3D4E6F8 (1)
Weight, g/mol:	287.113313
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	3.91
IP(EA), eV:	-9.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(benzylamino)-4,4,4-trifluoro-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

COCON=C(C1=NSC(=N1)[NH3+])C(=O)Cl.[Cl-]

DOS

IR

Vibrations