Geometry & MOs

Info

ID:	138357
PubChem CID:	52353318
Reduced:	OSN6C14H18 (1)
Stoich.:	ABC6D14E18 (1)
Weight, g/mol:	320.099477
ΔH_f, kcal/mol:	78.43
Dipole, Da:	3.77
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=NO1)CSC2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations