Geometry & MOs

Info

ID:	28675
PubChem CID:	828883
Reduced:	SN2O2H14C20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	278.106671
ΔH_f, kcal/mol:	26.48
Dipole, Da:	5.39
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4

DOS

IR

Vibrations