Geometry & MOs

Info

ID:	199646
PubChem CID:	79276790
Reduced:	ClN5C15H18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	58.0
Dipole, Da:	5.93
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N(C(=N2)CCCl)CCC3=NC=CN3C

DOS

IR

Vibrations