Geometry & MOs

Info

ID:	121301
PubChem CID:	50762272
Reduced:	BrSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	344.138559
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	3.57
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations