Geometry & MOs

Info

ID:	32717
PubChem CID:	7847312
Reduced:	ClNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	382.093164
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	3.39
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)OC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations