Geometry & MOs

Info

ID:	39455
PubChem CID:	8140858
Reduced:	ClFOSN4C20H20 (1)
Stoich.:	ABCDE4F20G20 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	8.15
Dipole, Da:	5.69
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CSC3=NN=C(N3C4CC4)C

DOS

IR

Vibrations