Geometry & MOs

Info

ID:	126358
PubChem CID:	50962073
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	373.175004
ΔH_f, kcal/mol:	-80.17
Dipole, Da:	6.5
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-3-pentan-3-yl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1C2=CC3=C(C=C2)OCO3)O)C(=O)CSC4=NNC(=N4)N

DOS

IR

Vibrations