Geometry & MOs

Info

ID:	139754
PubChem CID:	52589799
Reduced:	FSN3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-171.96
Dipole, Da:	2.55
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)OC

DOS

IR

Vibrations