Geometry & MOs

Info

ID:	62092
PubChem CID:	26717550
Reduced:	SCl2N2O3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	2.18
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations