Geometry & MOs

Info

ID:	79199
PubChem CID:	49747374
Reduced:	SN2O5C27H36 (1)
Stoich.:	AB2C5D27E36 (1)
Weight, g/mol:	506.00033
ΔH_f, kcal/mol:	-188.46
Dipole, Da:	3.17
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3(CCOCC3)C4=CC=CC=C4OC

DOS

IR

Vibrations