Geometry & MOs

Info

ID:	36753
PubChem CID:	8012224
Reduced:	ClSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	304.074702
ΔH_f, kcal/mol:	-161.54
Dipole, Da:	3.97
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2

DOS

IR

Vibrations