Geometry & MOs

Info

ID:	218523
PubChem CID:	85089569
Reduced:	O4C13H18 (2)
Stoich.:	A4B13C18 (2)
Weight, g/mol:	476.096345
ΔH_f, kcal/mol:	-366.56
Dipole, Da:	3.18
IP(EA), eV:	-9.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzoyloxy-6-methoxy-2-methyl-5-methylsulfanylcarbothioyloxyoxan-3-yl) benzoate

Drug info:

PubChemData

Smile

CC(=O)OCCCCC1CC(C2C(C1OC(=O)C)C3C(O2)OC(O3)(C)C)OCC4=CC=CC=C4

DOS

IR

Vibrations