Geometry & MOs

Info

ID:	155605
PubChem CID:	56366196
Reduced:	BrF3N3O3H13C16 (1)
Stoich.:	AB3C3D3E13F16 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-230.3
Dipole, Da:	8.62
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-3-thiophen-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations