Geometry & MOs

Info

ID:	36784
PubChem CID:	8012658
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	351.110673
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	3.13
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)CN3CCCC3=O

DOS

IR

Vibrations