Geometry & MOs

Info

ID:	68249
PubChem CID:	46508045
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	2.29
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations