Geometry & MOs

Info

ID:	199837
PubChem CID:	79306115
Reduced:	BrO2S2N3H8C10 (1)
Stoich.:	AB2C2D3E8F10 (1)
Weight, g/mol:	358.99393
ΔH_f, kcal/mol:	3.07
Dipole, Da:	6.84
IP(EA), eV:	-9.05(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C=CS1(=O)=O)N2C3=C(C=C(C=N3)Br)NC2=S

DOS

IR

Vibrations