Geometry & MOs

Info

ID:	43427
PubChem CID:	10321277
Reduced:	BrN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	445.111098
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	3.17
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2S)-1-nitrosopyrrolidin-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NOC(=O)C)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Br)C=C2

DOS

IR

Vibrations