Geometry & MOs

Info

ID:	299118
PubChem CID:	117671489
Reduced:	N2F3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	519.265459
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	4.5
IP(EA), eV:	-10.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[2-(1-acetyloxy-3-phenylpropyl)undec-10-enoylsulfanyl]propanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC#C)[C@H](CCC1=CC=C(C=C1)C2(N=N2)C(F)(F)F)O

DOS

IR

Vibrations