Geometry & MOs

Info

ID:	159557
PubChem CID:	57288451
Reduced:	S2N3O5C7H9 (1)
Stoich.:	A2B3C5D7E9 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	5.33
IP(EA), eV:	-11.06(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-3-amino-1-tert-butyl-2-carbamoylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=NN=C(S1)C(=O)OC(=O)N

DOS

IR

Vibrations