Geometry & MOs

Info

ID:	62808
PubChem CID:	26736966
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	331.067843
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	5.46
IP(EA), eV:	-8.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC(=C(C=C3)OC)OC)N4C=CC=C4)C

DOS

IR

Vibrations