Geometry & MOs

Info

ID:	168838
PubChem CID:	75025779
Reduced:	BrN2O6H23C32 (1)
Stoich.:	AB2C6D23E32 (1)
Weight, g/mol:	510.193691
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	9.74
IP(EA), eV:	-8.79(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(2-ethylphenyl)-3-nitro-1-(pyridin-3-ylmethyl)piperidin-2-yl]-2-hydroxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C(=O)OC2=CCN3C=C4C=C(OC4=NC3=O)C5=CC=C(C=C5)Br)OCC6=CC=CC=C6

DOS

IR

Vibrations