Geometry & MOs

Info

ID:	35823
PubChem CID:	7980373
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-124.53
Dipole, Da:	5.45
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations