Geometry & MOs

Info

ID:	155216
PubChem CID:	56322740
Reduced:	BrClO2N4C16H20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	427.05653
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	3.31
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations