Geometry & MOs

Info

ID:	159347
PubChem CID:	57269653
Reduced:	PO9C12H23 (1)
Stoich.:	AB9C12D23 (1)
Weight, g/mol:	232.124549
ΔH_f, kcal/mol:	-457.94
Dipole, Da:	7.12
IP(EA), eV:	-10.04(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2S,4S)-2-(aminomethyl)-4-sulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(C(=O)OCC)C(C(=O)OCC)(OCC)P(=O)(O)O

DOS

IR

Vibrations