Geometry & MOs

Info

ID:	123403
PubChem CID:	50845777
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	399.030762
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	6.33
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(S2)CCC(=O)N3CCN(CC3)C

DOS

IR

Vibrations