Geometry & MOs

Info

ID:	60906
PubChem CID:	26703024
Reduced:	SN4O4H16C17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	472.097204
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	2.65
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CNC(=O)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations