Geometry & MOs

Info

ID:	30533
PubChem CID:	841461
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	333.039041
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	4.46
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations