Geometry & MOs

Info

ID:	164846
PubChem CID:	74461577
Reduced:	ClSN3O5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	398.160363
ΔH_f, kcal/mol:	-215.58
Dipole, Da:	4.45
IP(EA), eV:	-9.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)[O-])C(=O)CC(CNC(=O)C2CSC[NH2+]2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations