Geometry & MOs

Info

ID:	82167
PubChem CID:	49855715
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	505.167142
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	4.27
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(6-methylpyridazin-3-yl)-2-(4-methylsulfonylphenyl)-3-(4-propan-2-ylbenzoyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)OC5CC5

DOS

IR

Vibrations