Geometry & MOs

Info

ID:	138062
PubChem CID:	52305341
Reduced:	NO2F3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	349.128963
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	2.43
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)N(C)C(=O)CCC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations