Geometry & MOs

Info

ID:	227353
PubChem CID:	87561446
Reduced:	ClNaSO3H10C18 (1)
Stoich.:	ABCD3E10F18 (1)
Weight, g/mol:	469.358736
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	13.13
IP(EA), eV:	-8.59(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxononadec-5-en-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC(=C4S(=O)(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations