Geometry & MOs

Info

ID:	235018
PubChem CID:	92303891
Reduced:	FSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-102.08
Dipole, Da:	1.96
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations