Geometry & MOs

Info

ID:	45101
PubChem CID:	10508032
Reduced:	SO6C37H42 (1)
Stoich.:	AB6C37D42 (1)
Weight, g/mol:	614.475769
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	1.65
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(2R)-2,6,13,14,17,18-hexahydroxytriacontyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations