Geometry & MOs

Info

ID:	211060
PubChem CID:	80890523
Reduced:	BrSN3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	223.052781
ΔH_f, kcal/mol:	52.85
Dipole, Da:	5.35
IP(EA), eV:	-8.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CC=C1)SC2=C(C=CC=N2)Br

DOS

IR

Vibrations