Geometry & MOs

Info

ID:	214549
PubChem CID:	85083177
Reduced:	SF3O3N5C26H28 (1)
Stoich.:	AB3C3D5E26F28 (1)
Weight, g/mol:	547.177707
ΔH_f, kcal/mol:	-156.07
Dipole, Da:	4.8
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-amino-2-oxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(COC2=CC3=C(C=C2)SC(=N3)C)O)CC4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations