Geometry & MOs

Info

ID:	279356
PubChem CID:	103843379
Reduced:	BrFNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	6.01
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC=C1Br)F)CO

DOS

IR

Vibrations