Geometry & MOs

Info

ID:	34251
PubChem CID:	7890497
Reduced:	NSO6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	352.082599
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	4.99
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[(4-chlorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3

DOS

IR

Vibrations