Geometry & MOs

Info

ID:	276018
PubChem CID:	103819985
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	263.049526
ΔH_f, kcal/mol:	-13.45
Dipole, Da:	2.13
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=NC=CN=C1

DOS

IR

Vibrations