Geometry & MOs

Info

ID:	396566
PubChem CID:	135028783
Reduced:	OSN3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	119.73
Dipole, Da:	4.58
IP(EA), eV:	-8.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(benzoyloxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=NN/C(=C/3\C=C4C=CC=CC4=N3)/O2

DOS

IR

Vibrations