Geometry & MOs

Info

ID:	84459
PubChem CID:	49866497
Reduced:	OC6H7 (4)
Stoich.:	AB6C7 (4)
Weight, g/mol:	365.062416
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	7.3
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=C(C(=C2)OC)C3=C(C=CC(=C3)/C=C/C(=O)O)O)(C)C)C

DOS

IR

Vibrations