Geometry & MOs

Info

ID:	143318
PubChem CID:	53187447
Reduced:	F3O3N4C19H19 (1)
Stoich.:	A3B3C4D19E19 (1)
Weight, g/mol:	428.176979
ΔH_f, kcal/mol:	-237.45
Dipole, Da:	2.45
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethoxyphenyl)methyl]-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(C1=O)C2=NC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations