Geometry & MOs

Info

ID:	283342
PubChem CID:	103976114
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	5.7
IP(EA), eV:	-9.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methyl-4-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)NC)C)N

DOS

IR

Vibrations