Geometry & MOs

Info

ID:	49420
PubChem CID:	11532999
Reduced:	ClN2O2C29H31 (1)
Stoich.:	AB2C2D29E31 (1)
Weight, g/mol:	474.152611
ΔH_f, kcal/mol:	7.62
Dipole, Da:	6.21
IP(EA), eV:	-8.49(-0.89)
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;hydrochloride

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)CCOC2=C(C=C(C=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)C)O

DOS

IR

Vibrations