Geometry & MOs

Info

ID:	48392
PubChem CID:	10544157
Reduced:	BrO3N4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	327.053445
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	2.69
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5Z)-2-(6-aminopurin-9-yl)-4-chloro-5-(fluoromethylidene)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=C(NC=C1Br)C(=O)NCC/C=C\2/C(=O)NC(=O)N2

DOS

IR

Vibrations