Geometry & MOs

Info

ID:	6114
PubChem CID:	67079
Reduced:	HgO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	473.140449
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	0.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816268
Charge, e:	0

Chem-info

IUPAC name:

[(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4[Hg])O

DOS

IR

Vibrations