Geometry & MOs

Info

ID:	51581
PubChem CID:	12014274
Reduced:	OSC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	343.93857
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	2.14
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@]1(SCCC[S@]1=O)C(=O)C

DOS

IR

Vibrations