Geometry & MOs

Info

ID:	49421
PubChem CID:	11533001
Reduced:	ClS2O3N4C20H31 (1)
Stoich.:	AB2C3D4E20F31 (1)
Weight, g/mol:	438.175933
ΔH_f, kcal/mol:	-128.84
Dipole, Da:	2.86
IP(EA), eV:	-8.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)NCCCN3CCN(CC3)C.Cl

DOS

IR

Vibrations