Geometry & MOs

Info

ID:	235013
PubChem CID:	92303882
Reduced:	FSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	402.139113
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	3.68
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@H](SCC2=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations