Geometry & MOs

Info

ID:	291881
PubChem CID:	113585160
Reduced:	BrOSN3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	289.065176
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(cyclopropylmethyl)-4-(2-methylsulfinylethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NCC(C)(C)SC)Br

DOS

IR

Vibrations