Geometry & MOs

Info

ID:	24864
PubChem CID:	614025
Reduced:	BrOSN2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	275.9932
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	3.47
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-butan-2-yl-6-methyl-2-sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C(=C(N=C1S)C)Br

DOS

IR

Vibrations