Geometry & MOs

Info

ID:	299660
PubChem CID:	117688353
Reduced:	F2O4N5C29H37 (1)
Stoich.:	A2B4C5D29E37 (1)
Weight, g/mol:	177.080121
ΔH_f, kcal/mol:	-217.2
Dipole, Da:	8.58
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC[C@H]1NC(=O)C2=C(NC3=C2N=CN=C3C4(CC=CC(=C4)C(F)F)OCC5CC5)C)NC(=O)COC

DOS

IR

Vibrations