Geometry & MOs

Info

ID:	177777
PubChem CID:	76229449
Reduced:	FSN3O4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	347.0321
ΔH_f, kcal/mol:	-131.57
Dipole, Da:	5.05
IP(EA), eV:	-9.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-3-(3-fluorophenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C=CC3=CC=CC=C3F

DOS

IR

Vibrations