Geometry & MOs

Info

ID:	243343
PubChem CID:	99218778
Reduced:	F3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	441.154469
ΔH_f, kcal/mol:	-282.9
Dipole, Da:	9.01
IP(EA), eV:	-9.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N[C@@H]1CCCC2=C1C=C(C(=O)N2)C(=O)N)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations