Geometry & MOs

Info

ID:	307699
PubChem CID:	125308202
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	557.132196
ΔH_f, kcal/mol:	11.53
Dipole, Da:	2.61
IP(EA), eV:	-8.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[(8S)-7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl]-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H]1C2=C(N=N1)OC(=C([C@H]2C3=CC(=C(C=C3)O[C@H](C)CN(C)C)OC)C#N)N

DOS

IR

Vibrations