Geometry & MOs

Info

ID:	133073
PubChem CID:	51473715
Reduced:	N4O5H16C22 (1)
Stoich.:	A4B5C16D22 (1)
Weight, g/mol:	308.070502
ΔH_f, kcal/mol:	-95.79
Dipole, Da:	5.48
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-methyl-7-oxo-6-[[(2R)-oxolan-2-yl]methylcarbamoyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-olate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=NC=CN=C4N

DOS

IR

Vibrations