Geometry & MOs

Info

ID:	380318
PubChem CID:	134970728
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	440.150489
ΔH_f, kcal/mol:	-43.64
Dipole, Da:	2.77
IP(EA), eV:	-9.09(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,5-diacetyloxy-6-ethylsulfanyl-4-phenylmethoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations