Geometry & MOs

Info

ID:	123394
PubChem CID:	50845525
Reduced:	SO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	399.030762
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	9.11
IP(EA), eV:	-8.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations