Geometry & MOs

Info

ID:	143623
PubChem CID:	53236265
Reduced:	BrClOSN2H8C12 (1)
Stoich.:	ABCDE2F8G12 (1)
Weight, g/mol:	504.10823
ΔH_f, kcal/mol:	14.02
Dipole, Da:	7.07
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-(2-phenylpiperidine-1-carbonyl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=O)NC(N2)C3=C(SC=C3)Br

DOS

IR

Vibrations