Geometry & MOs

Info

ID:	48377
PubChem CID:	10542511
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	3.86
IP(EA), eV:	-9.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)N[C@@H](CO)C1=CC=CC=C1)(Cl)Cl

DOS

IR

Vibrations