Geometry & MOs

Info

ID:	273544
PubChem CID:	103771343
Reduced:	ClFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	295.104228
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	1.63
IP(EA), eV:	-9.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=C(C=C1)Cl)F)O

DOS

IR

Vibrations