Geometry & MOs

Info

ID:	337770
PubChem CID:	127258393
Reduced:	S2O4N8C15H34 (1)
Stoich.:	A2B4C8D15E34 (1)
Weight, g/mol:	466.365825
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	2.93
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2S)-3-cyclododecyl-2-hydroxycyclododecyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCNNN1NOC(=O)CCC(=O)ONN(SCCCS1)NNCCCC

DOS

IR

Vibrations