Geometry & MOs

Info

ID:	56382
PubChem CID:	17425268
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	4.92
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)NC(=O)OCC

DOS

IR

Vibrations