Geometry & MOs

Info

ID:	369892
PubChem CID:	127336664
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	398.108248
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	4.5
IP(EA), eV:	-9.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-imidazol-5-ylsulfonyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CN3)C

DOS

IR

Vibrations