Geometry & MOs

Info

ID:	360164
PubChem CID:	127300744
Reduced:	SN3O5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	388.168145
ΔH_f, kcal/mol:	-171.04
Dipole, Da:	5.97
IP(EA), eV:	-9.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-methylsulfanyl-5-[3-oxo-3-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)COC2=CN=CC=C2

DOS

IR

Vibrations