Geometry & MOs

Info

ID:	443245
PubChem CID:	135258272
Reduced:	Br2O3N4C11H12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	406.0138
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	4.42
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-(4-amino-6-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-iodooxolan-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@H]1N2C(=C(C3=C(N=CN=C32)N)Br)Br)CO)O

DOS

IR

Vibrations