Geometry & MOs

Info

ID:	154890
PubChem CID:	56314435
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	424.16322
ΔH_f, kcal/mol:	-152.44
Dipole, Da:	3.83
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3F

DOS

IR

Vibrations