Geometry & MOs

Info

ID:	159045
PubChem CID:	57244634
Reduced:	SO4C16H34 (1)
Stoich.:	AB4C16D34 (1)
Weight, g/mol:	559.194793
ΔH_f, kcal/mol:	-240.61
Dipole, Da:	4.31
IP(EA), eV:	-10.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCC)OS(=O)(=O)O

DOS

IR

Vibrations