Geometry & MOs

Info

ID:	329469
PubChem CID:	126737149
Reduced:	SN2O6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	10.51
IP(EA), eV:	-9.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrrolidine-2-carbonyloxy)butanoic acid

Drug info:

PubChemData

Smile

C1COC(=O)[C@H]1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=COC=C3

DOS

IR

Vibrations