Geometry & MOs

Info

ID:	160237
PubChem CID:	57309583
Reduced:	ON4C29H34 (1)
Stoich.:	AB4C29D34 (1)
Weight, g/mol:	322.9917
ΔH_f, kcal/mol:	24.25
Dipole, Da:	3.54
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

Drug info:

PubChemData

Smile

CCC(C)C1=NC(=CN1CC2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)N4C=CC=C4C)C

DOS

IR

Vibrations