Geometry & MOs

Info

ID:	381229
PubChem CID:	134971896
Reduced:	NPO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	674.266839
ΔH_f, kcal/mol:	-94.23
Dipole, Da:	2.85
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(5R)-5-[benzoyloxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl] benzoate

Drug info:

PubChemData

Smile

CC1(OC2[C@H]3[C@@H](C(=C)C4=CC=CC=C4CN3P)OC2O1)C

DOS

IR

Vibrations