Geometry & MOs

Info

ID:	409734
PubChem CID:	135082519
Reduced:	PO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	390.031051
ΔH_f, kcal/mol:	-234.21
Dipole, Da:	1.67
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,4R)-3-acetyloxy-2-bicyclo[2.2.1]heptanyl]-chloromercury

Drug info:

PubChemData

Smile

CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OP3OC4=CC=CC5=C4C(=CC=C5)O3

DOS

IR

Vibrations