Geometry & MOs

Info

ID:	155913
PubChem CID:	56368275
Reduced:	F2N2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	414.02489
ΔH_f, kcal/mol:	-277.97
Dipole, Da:	7.53
IP(EA), eV:	-9.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[3-(2-methylsulfonylethoxy)phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations