Geometry & MOs

Info

ID:	55414
PubChem CID:	17395355
Reduced:	BrN2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	1.56
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations