Geometry & MOs

Info

ID:	64026
PubChem CID:	26759710
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	3.85
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations