Geometry & MOs

Info

ID:	140059
PubChem CID:	52638755
Reduced:	OSN2F4C17H18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	372.148319
ΔH_f, kcal/mol:	-212.06
Dipole, Da:	5.04
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)N(CC(C)C)CC(F)(F)F

DOS

IR

Vibrations