Geometry & MOs

Info

ID:	398041
PubChem CID:	135031462
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	2.76
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-3-hydroxy-5-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine-6-carboxylate

Drug info:

PubChemData

Smile

C1CO[C@@H]([C@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CO5

DOS

IR

Vibrations