Geometry & MOs

Info

ID:	259726
PubChem CID:	103173154
Reduced:	BrNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	339.98811
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	3.82
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-bromo-2-ethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=NC(=CC=C2)Br)C(=O)OC

DOS

IR

Vibrations