Geometry & MOs

Info

ID:	168839
PubChem CID:	75025926
Reduced:	SN4O5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	574.08855
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	7.38
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2CCN(C(C2[N+](=O)[O-])C3=CC(=C(C=C3)O)NS(=O)(=O)C)CC4=CN=CC=C4

DOS

IR

Vibrations