Geometry & MOs

Info

ID:	213398
PubChem CID:	81063607
Reduced:	NO3F4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	329.02887
ΔH_f, kcal/mol:	-328.49
Dipole, Da:	4.54
IP(EA), eV:	-10.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)C(F)(F)F)F

DOS

IR

Vibrations