Geometry & MOs

Info

ID:	261959
PubChem CID:	103262048
Reduced:	NF3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-274.2
Dipole, Da:	2.21
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxybutan-2-ylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NCCCCC(F)(F)F

DOS

IR

Vibrations