Geometry & MOs

Info

ID:	34364
PubChem CID:	7890932
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	366.98778
ΔH_f, kcal/mol:	-178.71
Dipole, Da:	1.91
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations