Geometry & MOs

Info

ID:	240866
PubChem CID:	93617883
Reduced:	SN2O5C12H14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	6.16
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(2R)-pentan-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)NC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations