Geometry & MOs

Info

ID:	299657
PubChem CID:	117688310
Reduced:	SN2F3O4C31H31 (1)
Stoich.:	AB2C3D4E31F31 (1)
Weight, g/mol:	176.096106
ΔH_f, kcal/mol:	-238.21
Dipole, Da:	8.45
IP(EA), eV:	-8.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3CC3)C4=NC(=CS4)C5=CC=C(C=C5)C(F)(F)F.C(=O)(O)O

DOS

IR

Vibrations