Geometry & MOs

Info

ID:	138405
PubChem CID:	52361101
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	396.06847
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	5.27
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylacetamide

Drug info:

PubChemData

Smile

CCN(C[C@H]1CCCO1)C(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations