Geometry & MOs

Info

ID:	132125
PubChem CID:	51311128
Reduced:	SN2O2F3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	337.07482
ΔH_f, kcal/mol:	-212.2
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NCC1=CC(=CC=C1)C(F)(F)F)C2=CC=CS2

DOS

IR

Vibrations