Geometry & MOs

Info

ID:	371561
PubChem CID:	127347180
Reduced:	SO2N6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	391.993523
ΔH_f, kcal/mol:	7.84
Dipole, Da:	5.51
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CN=CN2)C3=NN=CC=C3

DOS

IR

Vibrations