Geometry & MOs

Info

ID:	232843
PubChem CID:	87577197
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	491.97707
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	5.63
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,6S)-6-amino-4-iodo-2-(2-iodopentan-3-yloxy)cyclohex-3-en-1-yl]acetamide

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)N(C(C(=O)N1)(C)CC2=CC=CC=C2)C)/C3=C(C=CC(=C3F)OC)C#N

DOS

IR

Vibrations