Geometry & MOs

Info

ID:	225695
PubChem CID:	87225368
Reduced:	SN7O7C27H29 (1)
Stoich.:	AB7C7D27E29 (1)
Weight, g/mol:	1010.749826
ΔH_f, kcal/mol:	-208.37
Dipole, Da:	7.51
IP(EA), eV:	-8.75(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethyl)propane-1,3-diol;2,2,3,3-tetrakis(dodecylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NCCCCC(C(=O)O)N)/N2

DOS

IR

Vibrations