Geometry & MOs

Info

ID:	61057
PubChem CID:	26704926
Reduced:	SCl3N3O3H14C18 (1)
Stoich.:	AB3C3D3E14F18 (1)
Weight, g/mol:	464.104208
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	1.34
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=C(SC=C2)C(=O)OC)Cl)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations