Geometry & MOs

Info

ID:	281473
PubChem CID:	103913921
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	332.176979
ΔH_f, kcal/mol:	19.62
Dipole, Da:	3.14
IP(EA), eV:	-9.29(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(1,1-dioxothian-3-yl)amino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)NCC2=CC=NO2)C

DOS

IR

Vibrations