Geometry & MOs

Info

ID:	400176
PubChem CID:	135046223
Reduced:	ClPO6H28C29 (1)
Stoich.:	ABC6D28E29 (1)
Weight, g/mol:	532.0537
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	10.36
IP(EA), eV:	-9.57(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,6S,8aS)-3-methoxycarbonyl-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-6-yl]-bromomercury

Drug info:

PubChemData

Smile

COC(=O)CP(CC(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)OCl(=O)(=O)=O

DOS

IR

Vibrations