Geometry & MOs

Info

ID:	394360
PubChem CID:	135022837
Reduced:	O5C24H40 (1)
Stoich.:	A5B24C40 (1)
Weight, g/mol:	896.395805
ΔH_f, kcal/mol:	-242.63
Dipole, Da:	6.65
IP(EA), eV:	-10.02(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(2S,4R,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

CCCCCCCC#CC(=O)CCCCCCCC(=O)OC[C@@H]1COC(O1)(C)C

DOS

IR

Vibrations