Geometry & MOs

Info

ID:	236957
PubChem CID:	92716397
Reduced:	SN4O5C16H22 (1)
Stoich.:	AB4C5D16E22 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	12.39
IP(EA), eV:	-9.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoic acid

Drug info:

PubChemData

Smile

COCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC[C@@H]3C(=O)O)N=N1

DOS

IR

Vibrations