Geometry & MOs

Info

ID:	64055
PubChem CID:	29195907
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	251.078013
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	3.15
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-6-fluoro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2

DOS

IR

Vibrations