Geometry & MOs

Info

ID:	234778
PubChem CID:	92303476
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	7.76
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations