Geometry & MOs

Info

ID:	399427
PubChem CID:	135040213
Reduced:	NOSF4C9H9 (1)
Stoich.:	ABCD4E9F9 (1)
Weight, g/mol:	287.173273
ΔH_f, kcal/mol:	-209.7
Dipole, Da:	1.93
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R,3S,6S)-2,3-dihydroxy-6-propanoylcyclohexyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCCS(=O)C(F)(F)F)F

DOS

IR

Vibrations