Geometry & MOs

Info

ID:	371567
PubChem CID:	127347188
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	350.121275
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	3.49
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methylsulfonyl]-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations