Geometry & MOs

Info

ID:	56209
PubChem CID:	17422562
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	376.120526
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	4.19
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC2=C(C=CC(=C2)C(=O)C)NC(=O)C

DOS

IR

Vibrations