Geometry & MOs

Info

ID:	82879
PubChem CID:	49856739
Reduced:	FO2N5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	554.230453
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	7.16
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-2-ethyl-8,8-dimethyl-4-oxo-9-(3-phenylpropanoyloxy)-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations