Geometry & MOs

Info

ID:	30534
PubChem CID:	841462
Reduced:	ClFNOSH13C17 (1)
Stoich.:	ABCDEF13G17 (1)
Weight, g/mol:	333.039041
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	2.93
IP(EA), eV:	-9.11(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

DOS

IR

Vibrations