Geometry & MOs

Info

ID:	299667
PubChem CID:	117688420
Reduced:	N5O6C29H37 (1)
Stoich.:	A5B6C29D37 (1)
Weight, g/mol:	202.086604
ΔH_f, kcal/mol:	-168.42
Dipole, Da:	5.87
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4R)-4-azido-2-fluorocyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)OC)OCC4CC4)C(=O)NC5CCN(CC5)OC(=O)OC(C)(C)C

DOS

IR

Vibrations