Geometry & MOs

Info

ID:	51586
PubChem CID:	12014280
Reduced:	OSBr2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	354.96262
ΔH_f, kcal/mol:	13.43
Dipole, Da:	6.71
IP(EA), eV:	-9.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations