Geometry & MOs

Info

ID:	234779
PubChem CID:	92303477
Reduced:	FN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	2.63
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=C(C=C2)F)C)COC3=CC(=CC(=C3C)C)C

DOS

IR

Vibrations