Geometry & MOs

Info

ID:	147726
PubChem CID:	53787383
Reduced:	ClFO2C25H34 (1)
Stoich.:	ABC2D25E34 (1)
Weight, g/mol:	259.178358
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	2.54
IP(EA), eV:	-9.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-2-(nonanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC=CC1COC(OC1)C2CCC(CC2)C3CCC(CC3)C4=CC(=C(C=C4)Cl)F

DOS

IR

Vibrations