Geometry & MOs

Info

ID:	36761
PubChem CID:	8012313
Reduced:	SCl2N2O3H12C17 (1)
Stoich.:	AB2C2D3E12F17 (1)
Weight, g/mol:	372.040066
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	3.35
IP(EA), eV:	-8.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations