Geometry & MOs

Info

ID:	229482
PubChem CID:	87567808
Reduced:	ClFSN3O4C25H29 (1)
Stoich.:	ABCD3E4F25G29 (1)
Weight, g/mol:	332.063092
ΔH_f, kcal/mol:	-159.57
Dipole, Da:	7.98
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenoxy)propanamide

Drug info:

PubChemData

Smile

CC(=O)S[C@H]\1CCN(C/C1=C/C2=NN(C=C2)CCC(=O)O)[C@H](C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations