Geometry & MOs

Info

ID:	85412
PubChem CID:	49874907
Reduced:	ClN4O4C26H27 (1)
Stoich.:	AB4C4D26E27 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	6.4
IP(EA), eV:	-8.75(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[acetyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CC4=NCCO4)Cl

DOS

IR

Vibrations