Geometry & MOs

Info

ID:	130869
PubChem CID:	51119254
Reduced:	ClN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	363.0599
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	2.73
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)sulfonyl-2-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations