Geometry & MOs

Info

ID:	424364
PubChem CID:	135122413
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	298.96156
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	4.07
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-methylphenyl)sulfonyl-2H-pyrrole

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCOC(=O)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations