Geometry & MOs

Info

ID:	140754
PubChem CID:	52753412
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	389.06009
ΔH_f, kcal/mol:	78.93
Dipole, Da:	5.66
IP(EA), eV:	-9.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC(=C2)N3C=NN=N3)C4=CC=CC=C4

DOS

IR

Vibrations