Geometry & MOs

Info

ID:	138061
PubChem CID:	52305297
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	349.128963
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	7.31
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations