Geometry & MOs

Info

ID:	81992
PubChem CID:	49855450
Reduced:	PO8C16H29 (1)
Stoich.:	AB8C16D29 (1)
Weight, g/mol:	442.0756
ΔH_f, kcal/mol:	-447.32
Dipole, Da:	3.23
IP(EA), eV:	-10.14(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-4-bromobut-2-enyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOP(=O)(C/C=C/CO)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations