Geometry & MOs

Info

ID:	38606
PubChem CID:	8137229
Reduced:	FSN2O6C15H19 (1)
Stoich.:	ABC2D6E15F19 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-267.2
Dipole, Da:	4.63
IP(EA), eV:	-9.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

DOS

IR

Vibrations