Geometry & MOs

Info

ID:	146538
PubChem CID:	53702339
Reduced:	NSO4C8H11 (1)
Stoich.:	ABC4D8E11 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	3.0
IP(EA), eV:	-8.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxy-2-propanoyl-4-prop-2-enyloctanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)OCCS(=O)(=O)O

DOS

IR

Vibrations