Geometry & MOs

Info

ID:	199838
PubChem CID:	79306116
Reduced:	BrSN3O3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	357.97352
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	6.54
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(COC)N1C2=C(C=C(C=N2)Br)N=C1SCC(=O)O

DOS

IR

Vibrations