Geometry & MOs

Info

ID:	230274
PubChem CID:	87570557
Reduced:	NSF3O5C25H30 (1)
Stoich.:	ABC3D5E25F30 (1)
Weight, g/mol:	302.063782
ΔH_f, kcal/mol:	-330.92
Dipole, Da:	4.87
IP(EA), eV:	-8.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carboxyoxy-1-ethenoxycarbonyloxypent-4-en-2-yl) ethenyl carbonate

Drug info:

PubChemData

Smile

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F)C[C@](C)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations