Geometry & MOs

Info

ID:	150361
PubChem CID:	53790050
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	306.167853
ΔH_f, kcal/mol:	38.84
Dipole, Da:	5.11
IP(EA), eV:	-9.19(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1,2,3,6,7-pentahydroxytetradecane-4,5-dione

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C2=CSC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations