Geometry & MOs

Info

ID:	155747
PubChem CID:	56367311
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	412.955931
ΔH_f, kcal/mol:	-111.07
Dipole, Da:	5.62
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6-trichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations