Geometry & MOs

Info

ID:	307746
PubChem CID:	125308796
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	449.147452
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	5.9
IP(EA), eV:	-9.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,4aR)-4-(4-methoxy-3-phenylmethoxyphenyl)-2,5-dioxo-4,4a-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C(=O)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations