Geometry & MOs

Info

ID:	133687
PubChem CID:	51574866
Reduced:	FN3O5H16C23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.4
IP(EA), eV:	-9.25(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2[C@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4F)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations