Geometry & MOs

Info

ID:	140978
PubChem CID:	52793756
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	455.070655
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	6.29
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N(C)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations