Geometry & MOs

Info

ID:	47282
PubChem CID:	10531109
Reduced:	N2O2C17H21 (2)
Stoich.:	A2B2C17D21 (2)
Weight, g/mol:	571.06379
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	6.99
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4R,6R)-4-azido-6-(iodomethyl)-2,3-bis(phenylmethoxy)cyclohexyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(C(=O)N2CC(=O)N3CC4CCC(C3)CC4)NC(=O)OCC5=CC=CC=C5)C6CCCCC6

DOS

IR

Vibrations