Geometry & MOs

Info

ID:	323710
PubChem CID:	126675784
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	0.6
Dipole, Da:	7.77
IP(EA), eV:	-8.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[3-(hydroxymethyl)phenyl]-2-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=C(C=N2)CC3=CC(=NC(=C3N)N)N

DOS

IR

Vibrations