Geometry & MOs

Info

ID:	127672
PubChem CID:	51010711
Reduced:	NSO6H21C24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	263.095771
ΔH_f, kcal/mol:	-78.06
Dipole, Da:	9.76
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,4S,5R,6S)-5-fluoro-3-tricyclo[2.2.1.02,6]heptanyl] N-(4-hydroxyphenyl)carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1[C@@H]3C(C([C@@H]2C4=C3C=CC=C4OC)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations