Geometry & MOs

Info

ID:	371563
PubChem CID:	127347182
Reduced:	SO2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	26.4
Dipole, Da:	3.27
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CNC3=C2C=CC=N3)C4=NN=CC=C4

DOS

IR

Vibrations