Geometry & MOs

Info

ID:	231806
PubChem CID:	87574693
Reduced:	SN3O5C6H13 (1)
Stoich.:	AB3C5D6E13 (1)
Weight, g/mol:	352.072703
ΔH_f, kcal/mol:	-218.24
Dipole, Da:	6.33
IP(EA), eV:	-10.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chloro-6-methylpyrimidin-4-yl)benzimidazol-2-yl]oxyphenol

Drug info:

PubChemData

Smile

C(CS(=O)(=O)O)N[C@@H](CC(=O)N)C(=O)N

DOS

IR

Vibrations