Geometry & MOs

Info

ID:	155734
PubChem CID:	56367270
Reduced:	BrFSN2O3C19H20 (1)
Stoich.:	ABCD2E3F19G20 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	8.45
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methylphenyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations