Geometry & MOs

Info

ID:	35110
PubChem CID:	7979324
Reduced:	SN2O2F3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	319.097521
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	4.45
IP(EA), eV:	-9.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations