Geometry & MOs

Info

ID:	308037
PubChem CID:	125312377
Reduced:	ClNOF3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	536.275211
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	3.56
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(E)-4-[(2S,3R,4S,5S)-5-[(2S,3R,4R,5S)-3-chloro-2,5-dihydroxy-4-methylhexyl]-3,4-dihydroxyoxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)[C@](O1)(C#CC3CC3)C(F)(F)F

DOS

IR

Vibrations