Geometry & MOs

Info

ID:	195014
PubChem CID:	78620620
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	375.130443
ΔH_f, kcal/mol:	-67.57
Dipole, Da:	3.48
IP(EA), eV:	-8.85(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=NNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O)C

DOS

IR

Vibrations