Geometry & MOs

Info

ID:	245668
PubChem CID:	99495445
Reduced:	F2N3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	4.59
IP(EA), eV:	-9.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CN=C(C=C2)OC3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations