Geometry & MOs

Info

ID:	54344
PubChem CID:	17059444
Reduced:	NCl4O4H19C23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	353.02268
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	7.37
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-difluorophenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)C(=O)O)Cl)Cl)OCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations