Geometry & MOs

Info

ID:	51582
PubChem CID:	12014275
Reduced:	BrClOSN2H10C12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	343.93857
ΔH_f, kcal/mol:	1.96
Dipole, Da:	7.71
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2Cl)Br

DOS

IR

Vibrations