Geometry & MOs

Info

ID:	60909
PubChem CID:	26703044
Reduced:	FNOSH14C16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	446.071259
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.22
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)/C=C/SC2=CC=CC=C2)F

DOS

IR

Vibrations