Geometry & MOs

Info

ID:	234823
PubChem CID:	92303558
Reduced:	FSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	402.139113
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	6.33
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC=C(C=C3)F

DOS

IR

Vibrations