Geometry & MOs

Info

ID:	288348
PubChem CID:	104315202
Reduced:	BrSN3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	400.91975
ΔH_f, kcal/mol:	96.5
Dipole, Da:	1.88
IP(EA), eV:	-8.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dibromopyridin-2-yl)-4,6-dimethylpyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C2=CSC(=N2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations