Geometry & MOs

Info

ID:	263320
PubChem CID:	103356608
Reduced:	SO3N5C12H17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	7.6
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(N=C3N2C=CC=C3)NN)O

DOS

IR

Vibrations