Geometry & MOs

Info

ID:	221241
PubChem CID:	85261636
Reduced:	N3O6C30H49 (1)
Stoich.:	A3B6C30D49 (1)
Weight, g/mol:	548.117279
ΔH_f, kcal/mol:	-338.31
Dipole, Da:	5.39
IP(EA), eV:	-9.35(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-[4-[3-(6-chlorohexyl)-5-oxo-2-propan-2-ylcyclopentyl]-3-oxobut-1-en-2-yl]mercury

Drug info:

PubChemData

Smile

CC(C)CC(C(CC1=CC=CC=C1)C(=O)OC)NC(=O)CC(C)NC(=O)CC(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations