Geometry & MOs

Info

ID:	214848
PubChem CID:	85083739
Reduced:	SN2O5C37H38 (1)
Stoich.:	AB2C5D37E38 (1)
Weight, g/mol:	622.480854
ΔH_f, kcal/mol:	-88.84
Dipole, Da:	3.1
IP(EA), eV:	-8.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,10-dihydroxy-10-[6-[5-(1-hydroxytridecyl)oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1(N(C(CO1)C2=CC=CC=C2)C3C(N(C3=O)C(C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)SC)C

DOS

IR

Vibrations