Geometry & MOs

Info

ID:	158326
PubChem CID:	56463361
Reduced:	FSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	412.162077
ΔH_f, kcal/mol:	-135.92
Dipole, Da:	2.61
IP(EA), eV:	-8.88(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N(C)C4CC4

DOS

IR

Vibrations