Geometry & MOs

Info

ID:	137897
PubChem CID:	52280977
Reduced:	OSN4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	362.146427
ΔH_f, kcal/mol:	43.11
Dipole, Da:	5.7
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)NC(=O)CSCC3=CC=CC=N3

DOS

IR

Vibrations