Geometry & MOs

Info

ID:	44689
PubChem CID:	10505385
Reduced:	SN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	489.151231
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.172131
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,3S,5R)-5-[5-(8-aminooct-1-ynyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations