Geometry & MOs

Info

ID:	279384
PubChem CID:	103843596
Reduced:	ClO2N3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	309.119878
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	6.24
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-fluoro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C1=C(N(N=C1C)C)Cl)CO

DOS

IR

Vibrations