Geometry & MOs

Info

ID:	36945
PubChem CID:	8015175
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	19.17
Dipole, Da:	7.56
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC

DOS

IR

Vibrations