Geometry & MOs

Info

ID:	195229
PubChem CID:	78661204
Reduced:	FN2S2O4H11C12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-136.78
Dipole, Da:	3.22
IP(EA), eV:	-9.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C(CS1(=O)=O)SC2=NN=C(O2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations