Geometry & MOs

Info

ID:	205826
PubChem CID:	80163501
Reduced:	SF2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	285.104817
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	4.41
IP(EA), eV:	-8.35(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)NC(=N2)SC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations