Geometry & MOs

Info

ID:	280429
PubChem CID:	103849242
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-181.93
Dipole, Da:	5.41
IP(EA), eV:	-9.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-6-methyl-4-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1(CCOC1)O)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations