Geometry & MOs

Info

ID:	216589
PubChem CID:	85086463
Reduced:	SN4O4C10H12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-129.2
Dipole, Da:	5.18
IP(EA), eV:	-10.14(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,5-tetrahydroxy-7-phenylmethoxyheptan-2-one

Drug info:

PubChemData

Smile

C(CCN1C2=NC(=NC(=O)C2SC1=O)N)CC(=O)O

DOS

IR

Vibrations