Geometry & MOs

Info

ID:	201546
PubChem CID:	79553700
Reduced:	SN3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	90.32
Dipole, Da:	3.54
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CN=CC=C1)NCC2=CC(=CS2)C#N

DOS

IR

Vibrations