Geometry & MOs

Info

ID:	234026
PubChem CID:	92297562
Reduced:	NC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	279.071785
ΔH_f, kcal/mol:	70.39
Dipole, Da:	0.96
IP(EA), eV:	-8.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC=C2N(N=C1C3=CC=CC=C3)C

DOS

IR

Vibrations