Geometry & MOs

Info

ID:	371564
PubChem CID:	127347184
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	2.8
IP(EA), eV:	-8.76(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-ylmethylsulfonyl)-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CC3=C(COC3)C=C2)C4=NN=CC=C4

DOS

IR

Vibrations