Geometry & MOs

Info

ID:	218321
PubChem CID:	85089169
Reduced:	P3C8O15H19 (1)
Stoich.:	A3B8C15D19 (1)
Weight, g/mol:	448.07467
ΔH_f, kcal/mol:	-856.64
Dipole, Da:	5.82
IP(EA), eV:	-10.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(iodomethyl)oxolan-2-yl]-phenylmethoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-ol

Drug info:

PubChemData

Smile

COC1C(C(C(C(C1OC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

DOS

IR

Vibrations