Geometry & MOs

Info

ID:	123143
PubChem CID:	50834984
Reduced:	ClOSN3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	413.126541
ΔH_f, kcal/mol:	29.42
Dipole, Da:	6.1
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC(=NC2=O)SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations