Geometry & MOs

Info

ID:	371566
PubChem CID:	127347186
Reduced:	SO2N5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-ylmethylsulfonyl)-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations