Geometry & MOs

Info

ID:	12077
PubChem CID:	129768
Reduced:	N4O7C17H18 (1)
Stoich.:	A4B7C17D18 (1)
Weight, g/mol:	390.117549
ΔH_f, kcal/mol:	-190.95
Dipole, Da:	2.4
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(3-methylimidazo[4,5-f]quinolin-2-yl)amino]oxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1NOC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

DOS

IR

Vibrations