Geometry & MOs

Info

ID:	121668
PubChem CID:	50776320
Reduced:	SO3N4C23H38 (1)
Stoich.:	AB3C4D23E38 (1)
Weight, g/mol:	476.168261
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	5.36
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN3CCCCC3)C

DOS

IR

Vibrations