Geometry & MOs

Info

ID:	309878
PubChem CID:	126563919
Reduced:	F3N3O6H20C21 (1)
Stoich.:	A3B3C6D20E21 (1)
Weight, g/mol:	388.127051
ΔH_f, kcal/mol:	-343.56
Dipole, Da:	3.6
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[[3-(furan-2-yl)-2-oxo-1H-quinolin-7-yl]amino]-3,4,5,6-tetrahydroxyhexanal

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(C3=C(C=C(C=C3)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)NC2=O)C(F)(F)F

DOS

IR

Vibrations