Geometry & MOs

Info

ID:	134552
PubChem CID:	51713943
Reduced:	ClON3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	65.01
Dipole, Da:	3.23
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C=CCC1=CC(=C2C=CC=NC2=C1O)[C@@H](C3=CC=C(C=C3)Cl)NC4=CC=CC=N4

DOS

IR

Vibrations