Geometry & MOs

Info

ID:	419679
PubChem CID:	135108694
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-187.83
Dipole, Da:	5.04
IP(EA), eV:	-9.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(4-methylpyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations