Geometry & MOs

Info

ID:	33624
PubChem CID:	7887259
Reduced:	NSF2O3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-149.54
Dipole, Da:	5.45
IP(EA), eV:	-9.14(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations