Geometry & MOs

Info

ID:	229161
PubChem CID:	87567082
Reduced:	ClPSF2N2O7C25H26 (1)
Stoich.:	ABCD2E2F7G25H26 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-382.24
Dipole, Da:	7.88
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(acetyloxymethyl)-3-oxopentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)C(=O)NCCCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations