Geometry & MOs

Info

ID:	140703
PubChem CID:	52742422
Reduced:	ClSN2O4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	378.174356
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	8.43
IP(EA), eV:	-9.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-fluorophenyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)NCC2(CCOCC2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations