Geometry & MOs

Info

ID:	51585
PubChem CID:	12014279
Reduced:	OSBr2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	389.88601
ΔH_f, kcal/mol:	13.51
Dipole, Da:	7.21
IP(EA), eV:	-9.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Br)Br

DOS

IR

Vibrations