Geometry & MOs

Info

ID:	384425
PubChem CID:	134976961
Reduced:	PO9C24H29 (1)
Stoich.:	AB9C24D29 (1)
Weight, g/mol:	255.990177
ΔH_f, kcal/mol:	-418.69
Dipole, Da:	1.64
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[3-methylidenepent-4-enoxy(oxido)phosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

DOS

IR

Vibrations