Geometry & MOs

Info

ID:	177132
PubChem CID:	76139079
Reduced:	S2N5O5H11C12 (1)
Stoich.:	A2B5C5D11E12 (1)
Weight, g/mol:	442.235539
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	4.08
IP(EA), eV:	-9.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-bis(2,3-dimethylphenyl)-3,4,7,8-tetrahydroxydecane-5,6-dione

Drug info:

PubChemData

Smile

CON=C(C1=CSN=N1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

DOS

IR

Vibrations