Geometry & MOs

Info

ID:	185167
PubChem CID:	77264167
Reduced:	O4N6C18H27 (1)
Stoich.:	A4B6C18D27 (1)
Weight, g/mol:	359.149264
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	2.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868853
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolane-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=[N+](C1=O)C3CCCC3)N=NC(=N2)OCCCN4CCOCC4

DOS

IR

Vibrations