Geometry & MOs

Info

ID:	394687
PubChem CID:	135023506
Reduced:	PO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	867.06955
ΔH_f, kcal/mol:	-232.91
Dipole, Da:	4.04
IP(EA), eV:	-9.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H](C=C(OC1=O)P(=O)(OC)OC)C)C2=CC=CC=C2

DOS

IR

Vibrations