Geometry & MOs

Info

ID:	207409
PubChem CID:	80392790
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	260.083078
ΔH_f, kcal/mol:	-96.51
Dipole, Da:	2.54
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutan-2-yl 4-sulfamoyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC1C2=CC(=C(C=C2NC1=O)OC(C)C(C)C)Cl

DOS

IR

Vibrations