Geometry & MOs

Info

ID:	232896
PubChem CID:	87577480
Reduced:	FSN3O6H22C26 (2)
Stoich.:	ABC3D6E22F26 (2)
Weight, g/mol:	314.24571
ΔH_f, kcal/mol:	-436.02
Dipole, Da:	18.95
IP(EA), eV:	-8.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-1-ene;3-(2-hydroxyacetyl)dodecanoic acid

Drug info:

Smile

C1CC(=O)C2=C(C1)NC(=C2CCC(=O)O)/C=C\3/C(=O)NC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F.C1CC(=O)C2=C(C1)NC(=C2CCC(=O)O)/C=C\3/C(=O)NC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations