Geometry & MOs

Info

ID:	44076
PubChem CID:	10500658
Reduced:	NO6C21H29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	391.199488
ΔH_f, kcal/mol:	-261.2
Dipole, Da:	4.2
IP(EA), eV:	-9.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(4,5-dimethyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C=C[C@H](O[C@H]1C(=O)OCC2=CC=CC=C2)[C@@H](CNC(=O)OC(C)(C)C)O

DOS

IR

Vibrations