Geometry & MOs

Info

ID:	405529
PubChem CID:	135074317
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	960.400235
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	4.27
IP(EA), eV:	-8.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6R)-4-diphenylphosphoryl-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC=C1OOCC2=CC=CC=C2

DOS

IR

Vibrations