Geometry & MOs

Info

ID:	64259
PubChem CID:	29198739
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	6.24
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylpentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations