Geometry & MOs

Info

ID:	140537
PubChem CID:	52717058
Reduced:	SF3O3N4C16H17 (1)
Stoich.:	AB3C3D4E16F17 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	8.35
IP(EA), eV:	-9.86(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-methylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NN=C(S1)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations