Geometry & MOs

Info

ID:	36396
PubChem CID:	8005364
Reduced:	SN2O2F3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-188.92
Dipole, Da:	5.16
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C2=CC=CN2CCN1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations