Geometry & MOs

Info

ID:	252538
PubChem CID:	103112112
Reduced:	BrO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	342.01499
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	4.37
IP(EA), eV:	-9.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=C(C=C2)Br)C(=O)OCCOC

DOS

IR

Vibrations