Geometry & MOs

Info

ID:	35824
PubChem CID:	7980374
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-196.7
Dipole, Da:	3.91
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N3C[C@@H](CC3=O)C(=O)NCC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations