Geometry & MOs

Info

ID:	30714
PubChem CID:	841758
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	242.083747
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	6.67
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC

DOS

IR

Vibrations