Geometry & MOs

Info

ID:	235020
PubChem CID:	92303896
Reduced:	ClOS2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	23.73
Dipole, Da:	2.8
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NN=C(S1)SCCC2=CC=CC=C2)Cl

DOS

IR

Vibrations