Geometry & MOs

Info

ID:	443235
PubChem CID:	135258228
Reduced:	F3N4O10C38H53 (1)
Stoich.:	A3B4C10D38E53 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-594.8
Dipole, Da:	2.98
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)OC(=O)CCN3C=C(N=C3)CC(C(O)O)NC(=O)C(C)N

DOS

IR

Vibrations