Geometry & MOs

Info

ID:	264001
PubChem CID:	103414902
Reduced:	N2S2O3C8H12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	441.93844
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	6.67
IP(EA), eV:	-9.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dibromo-5-methoxyphenyl)-1-piperidin-4-ylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2(CC2)CO

DOS

IR

Vibrations