Geometry & MOs

Info

ID:	393714
PubChem CID:	135021551
Reduced:	S2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	577.909937
ΔH_f, kcal/mol:	-208.5
Dipole, Da:	5.38
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile;manganese

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC(C)C(=O)C1=CC(=C(C=C1)C)OC)OC(=O)C(C)(C)C

DOS

IR

Vibrations