Geometry & MOs

Info

ID:	342285
PubChem CID:	127265062
Reduced:	FON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	297.083493
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	2.8
IP(EA), eV:	-9.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethylsulfonyl)-3-(4-fluorophenyl)-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)N2CCN(C(C2)C#N)C3CC3

DOS

IR

Vibrations