Geometry & MOs

Info

ID:	36531
PubChem CID:	8008054
Reduced:	SN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	52.58
Dipole, Da:	4.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752002
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)NCC[NH+](C)C)C)C

DOS

IR

Vibrations