Geometry & MOs

Info

ID:	153001
PubChem CID:	56312110
Reduced:	ClON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	46.33
Dipole, Da:	4.87
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(N-ethyl-3,5-dimethylanilino)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)C4=NC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations