Geometry & MOs

Info

ID:	303289
PubChem CID:	124489465
Reduced:	NSO5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-197.51
Dipole, Da:	4.29
IP(EA), eV:	-10.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]1NS(=O)(=O)C2=C(OC(=C2)C(=O)O)C

DOS

IR

Vibrations