Geometry & MOs

Info

ID:	146469
PubChem CID:	53695364
Reduced:	S2N6O8C17H18 (1)
Stoich.:	A2B6C8D17E18 (1)
Weight, g/mol:	362.066262
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	9.73
IP(EA), eV:	-9.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-2-methoxyphenoxy)-4-hydroxy-2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)C(=NOCC(=O)N)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations