Geometry & MOs

Info

ID:	36794
PubChem CID:	8012772
Reduced:	ON2F3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	405.088223
ΔH_f, kcal/mol:	-173.67
Dipole, Da:	5.93
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-morpholin-4-ylsulfonylphenyl)methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations