Geometry & MOs

Info

ID:	203186
PubChem CID:	79791529
Reduced:	N2F3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	317.033349
ΔH_f, kcal/mol:	-323.36
Dipole, Da:	4.37
IP(EA), eV:	-10.02(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophene-3-carbonylamino)-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)NC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations