Geometry & MOs

Info

ID:	219430
PubChem CID:	85148656
Reduced:	N3O8H25C26 (1)
Stoich.:	A3B8C25D26 (1)
Weight, g/mol:	506.991036
ΔH_f, kcal/mol:	-279.62
Dipole, Da:	7.73
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

cycloocta-1,5-diene;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;ruthenium(2+);dihydrochloride

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5NC4C3=C2)OC(=O)CCC(=O)NCC(=O)O

DOS

IR

Vibrations