Geometry & MOs

Info

ID:	318384
PubChem CID:	126651022
Reduced:	ClSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	506.152097
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	7.38
IP(EA), eV:	-9.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[5-chloro-2-(2H-indazol-3-ylmethoxy)-4-methylphenyl]-4-fluorobenzoyl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C(=C1)O)C2CC2)Cl

DOS

IR

Vibrations