Geometry & MOs

Info

ID:	139594
PubChem CID:	52567062
Reduced:	ClOS2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	38.85
Dipole, Da:	7.92
IP(EA), eV:	-8.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3Cl)C(=O)C4=CC=CNC4=S

DOS

IR

Vibrations