Geometry & MOs

Info

ID:	68234
PubChem CID:	46508021
Reduced:	OSN3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	393.09139
ΔH_f, kcal/mol:	14.04
Dipole, Da:	5.27
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC(=C(S3)C)C)N4CCOCC4

DOS

IR

Vibrations