Geometry & MOs

Info

ID:	45820
PubChem CID:	10517875
Reduced:	FON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	4.72
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-aminophenyl)sulfonyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)F)C=O

DOS

IR

Vibrations