Geometry & MOs

Info

ID:	132721
PubChem CID:	51406823
Reduced:	NO7H27C28 (1)
Stoich.:	AB7C27D28 (1)
Weight, g/mol:	384.071941
ΔH_f, kcal/mol:	-223.76
Dipole, Da:	6.93
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(S)-(2-hydroxy-6-methyl-4-oxopyran-3-yl)-(4-nitrophenyl)methyl]-6-methyl-4-oxopyran-2-olate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)[C@@H]1C(=O)OC

DOS

IR

Vibrations