Geometry & MOs

Info

ID:	307877
PubChem CID:	125310373
Reduced:	FN3O6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	513.142367
ΔH_f, kcal/mol:	-217.97
Dipole, Da:	11.25
IP(EA), eV:	-9.25(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,10S)-5-hydroxy-10-[(3S)-7-methoxy-2-oxo-3H-quinolin-3-yl]-3-(4-methoxyphenyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromene-4,8-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(C[C@@H]1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations