Geometry & MOs

Info

ID:	163447
PubChem CID:	57965705
Reduced:	BrO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	3.85
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylpropyl)-6-methoxy-1-benzothiophene 1,1-dioxide

Drug info:

PubChemData

Smile

COC1CCN(C1)C(C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3N)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations