Geometry & MOs

Info

ID:	45120
PubChem CID:	10508174
Reduced:	NSO5C14H18 (2)
Stoich.:	ABC5D14E18 (2)
Weight, g/mol:	624.345089
ΔH_f, kcal/mol:	-370.61
Dipole, Da:	1.65
IP(EA), eV:	-8.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-ethoxy-3,4,5-tris[(3-methylphenyl)methoxy]-6-[(3-methylphenyl)methoxymethyl]oxane

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CSSC[C@@H](C(=O)OCC)NC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations