Geometry & MOs

Info

ID:	49322
PubChem CID:	11532831
Reduced:	ON4C30H34 (1)
Stoich.:	AB4C30D34 (1)
Weight, g/mol:	466.107769
ΔH_f, kcal/mol:	44.62
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-6-[4-[(2-methylphenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC1CN(CCN1CC2=CN=CN2CC3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations