Geometry & MOs

Info

ID:	31036
PubChem CID:	854217
Reduced:	BrO5H9C15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	4.88
IP(EA), eV:	-9.4(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=COC3=CC(=O)C=C(C3=C2O)O)Br

DOS

IR

Vibrations