Geometry & MOs

Info

ID:

219455

PubChem CID:

85148696

Reduced:

PSN2O5C24H52 (1)

Stoich.:

ABC2D5E24F52 (1)

Weight, g/mol:

510.537581

ΔHf, kcal/mol:

-344.52

Dipole, Da:

4.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753240

Charge, e:

 0

Chem-info

IUPAC name:

tetratriacontane-6,8-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations