Geometry & MOs

Info

ID:	82047
PubChem CID:	49855522
Reduced:	F3N3O4H20C25 (1)
Stoich.:	A3B3C4D20E25 (1)
Weight, g/mol:	476.076611
ΔH_f, kcal/mol:	-188.78
Dipole, Da:	6.28
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(6-methylpyridazin-3-yl)-3-(5-methyl-1,3-thiazole-2-carbonyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC(F)(F)F)C4=NN=C(C=C4)C)OC

DOS

IR

Vibrations