Geometry & MOs

Info

ID:	217780
PubChem CID:	85088378
Reduced:	PSN2O5C16H36 (1)
Stoich.:	ABC2D5E16F36 (1)
Weight, g/mol:	398.350843
ΔH_f, kcal/mol:	-299.3
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763922
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-hydroxy-6-tridecylpiperidin-3-yl)carbamate

Drug info:

PubChemData

Smile

CCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)C

DOS

IR

Vibrations