Geometry & MOs

Info

ID:	131711
PubChem CID:	51248982
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	3.02
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)sulfonyl-4-pyridin-4-ylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations