Geometry & MOs

Info

ID:	51584
PubChem CID:	12014277
Reduced:	BrClOSN2H10C12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	389.88601
ΔH_f, kcal/mol:	1.43
Dipole, Da:	6.7
IP(EA), eV:	-9.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations