Geometry & MOs

Info

ID:	46919
PubChem CID:	10528391
Reduced:	NO6H25C28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-162.48
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6R)-2-azido-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations