Geometry & MOs

Info

ID:	387386
PubChem CID:	134985195
Reduced:	NO6C39H45 (1)
Stoich.:	AB6C39D45 (1)
Weight, g/mol:	623.324688
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	5.01
IP(EA), eV:	-9.22(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations