Geometry & MOs

Info

ID:	369891
PubChem CID:	127336663
Reduced:	ClS2N4O4C13H15 (1)
Stoich.:	AB2C4D4E13F15 (1)
Weight, g/mol:	384.092597
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	2.95
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-4-(1H-imidazol-5-ylsulfonyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1S(=O)(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CN3

DOS

IR

Vibrations