Geometry & MOs

Info

ID:	279418
PubChem CID:	103843885
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	5.33
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(S1)CCCCC2)CO

DOS

IR

Vibrations