Geometry & MOs

Info

ID:	219391
PubChem CID:	85148352
Reduced:	OSN8C24H34 (1)
Stoich.:	ABC8D24E34 (1)
Weight, g/mol:	478.118047
ΔH_f, kcal/mol:	45.05
Dipole, Da:	3.86
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-acetamido-1,2,3-trimethoxy-10,10-bis(methylsulfanyl)-6,7-dihydro-5H-benzo[a]heptalene-9-thiolate

Drug info:

PubChemData

Smile

CCC1CC(NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C

DOS

IR

Vibrations