Geometry & MOs

Info

ID:	219126
PubChem CID:	85090656
Reduced:	FS2O5N6C24H35 (1)
Stoich.:	AB2C5D6E24F35 (1)
Weight, g/mol:	575.458345
ΔH_f, kcal/mol:	-201.38
Dipole, Da:	10.13
IP(EA), eV:	-9.3(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulfonic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(CC1=CC=C(C=C1)F)C(=O)N2CCC(CC2)(CN3C=NC=N3)C4CCN(CC4)S(=O)(=O)C

DOS

IR

Vibrations