Geometry & MOs

Info

ID:	219680
PubChem CID:	85164470
Reduced:	ClSN3O6C26H36 (1)
Stoich.:	ABC3D6E26F36 (1)
Weight, g/mol:	554.116559
ΔH_f, kcal/mol:	-278.07
Dipole, Da:	3.1
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butanoyloxy-3-[hydroxy-(2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl)oxyphosphoryl]oxypropyl] butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C2CCCC2CCC1C(=O)NC(CCSC)C(=O)O)NC(=O)C3=C(C=C(C=C3)Cl)O

DOS

IR

Vibrations