Geometry & MOs

Info

ID:	43395
PubChem CID:	10321226
Reduced:	OF3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	444.041391
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	6.24
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-4-thiophen-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2NC(=O)NC3CCN(CC3)C4=NC(=NC=C4)C(F)(F)F)C(=N1)C

DOS

IR

Vibrations