Geometry & MOs

Info

ID:	355797
PubChem CID:	127290649
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-92.46
Dipole, Da:	2.14
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations