Geometry & MOs

Info

ID:	155486
PubChem CID:	56365822
Reduced:	ClFSN3O6C20H21 (1)
Stoich.:	ABCD3E6F20G21 (1)
Weight, g/mol:	433.977395
ΔH_f, kcal/mol:	-245.33
Dipole, Da:	6.92
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OCCCC(=O)O)F)Cl

DOS

IR

Vibrations