Geometry & MOs

Info

ID:	63485
PubChem CID:	26758470
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	337.092578
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	8.29
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations