Geometry & MOs

Info

ID:	235002
PubChem CID:	92303859
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	3.37
IP(EA), eV:	-8.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-3-ethyl-6-(2-fluorophenyl)-4-[(4-methylphenoxy)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C[C@@H](C1=CC(=CC=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations