Geometry & MOs

Info

ID:	223459
PubChem CID:	85335073
Reduced:	O5C21H38 (1)
Stoich.:	A5B21C38 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-275.95
Dipole, Da:	2.79
IP(EA), eV:	-9.98(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[3-[(4-propan-2-ylphenyl)methyl]phenyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)C=CCCCCCCC(=O)OCC(CO)O

DOS

IR

Vibrations