Geometry & MOs

Info

ID:	199657
PubChem CID:	79277771
Reduced:	ClN4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	373.00958
ΔH_f, kcal/mol:	94.86
Dipole, Da:	5.24
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-bromo-3-(1-ethoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1)N(C(=N2)CCCl)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations