Geometry & MOs

Info

ID:

165578

PubChem CID:

74570289

Reduced:

ClNO2H7C12 (1)

Stoich.:

ABC2D7E12 (1)

Weight, g/mol:

284.143273

ΔHf, kcal/mol:

28.22

Dipole, Da:

4.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.983826

Charge, e:

 1

Chem-info

IUPAC name:

4-amino-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CC(=N2)C=CC(=O)[O-])Cl

DOS

IR

Vibrations