Geometry & MOs

Info

ID:	156173
PubChem CID:	56369400
Reduced:	ClFSN3O5C22H25 (1)
Stoich.:	ABCD3E5F22G25 (1)
Weight, g/mol:	417.01466
ΔH_f, kcal/mol:	-206.28
Dipole, Da:	7.84
IP(EA), eV:	-8.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations