Geometry & MOs

Info

ID:	132415
PubChem CID:	51360007
Reduced:	N2F3O4H21C25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	363.143035
ΔH_f, kcal/mol:	-222.6
Dipole, Da:	3.54
IP(EA), eV:	-8.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(4-methoxyphenyl)methylamino]methyl]oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(N3C=C(C=CC3=N2)C(=O)OC)CC4=CC=CC=C4C(F)(F)F)OC

DOS

IR

Vibrations