Geometry & MOs

Info

ID:	148985
PubChem CID:	53788656
Reduced:	FSN2O5C10H11 (1)
Stoich.:	ABC2D5E10F11 (1)
Weight, g/mol:	386.266839
ΔH_f, kcal/mol:	-225.58
Dipole, Da:	4.28
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octadecanoyloxypropanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H](C(C2=O)(N)F)SC1)C(=O)O

DOS

IR

Vibrations