Geometry & MOs

Info

ID:	30451
PubChem CID:	841351
Reduced:	Cl2O3N4H8C11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	343.048999
ΔH_f, kcal/mol:	6.36
Dipole, Da:	7.03
IP(EA), eV:	-9.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)NC(=O)CN2C=C(C=N2)[N+](=O)[O-]

DOS

IR

Vibrations