Geometry & MOs

Info

ID:	176190
PubChem CID:	76007306
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-106.07
Dipole, Da:	3.0
IP(EA), eV:	-8.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-oxo-1-phenyl-4-sulfanylbutan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=C2C=C(C=C5)O)OC.Cl

DOS

IR

Vibrations