Geometry & MOs

Info

ID:	13719
PubChem CID:	397189
Reduced:	SN2O4C20H36 (1)
Stoich.:	AB2C4D20E36 (1)
Weight, g/mol:	400.239579
ΔH_f, kcal/mol:	-245.9
Dipole, Da:	4.32
IP(EA), eV:	-8.7(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylsulfanylmethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1CSC[C@@H]2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations