Geometry & MOs

Info

ID:	384424
PubChem CID:	134976960
Reduced:	ClPO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	492.15492
ΔH_f, kcal/mol:	-245.0
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] diphenyl phosphate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OP(=O)(OC)OC(C)Cl

DOS

IR

Vibrations