Geometry & MOs

Info

ID:	157799
PubChem CID:	56437305
Reduced:	FOSN4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	444.115521
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	3.54
IP(EA), eV:	-8.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations