Geometry & MOs

Info

ID:

47431

PubChem CID:

10532637

Reduced:

NO8H41C42 (1)

Stoich.:

AB8C41D42 (1)

Weight, g/mol:

686.27145

ΔHf, kcal/mol:

-113.94

Dipole, Da:

3.05

IP(EA), eV:

 -9.36(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-7-bromoimidazo[4,5-c]pyridin-4-amine

Drug info:

PubChemData

Smile

C=C[C@@H]([C@H]([C@H]([C@@H](COCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations