Geometry & MOs

Info

ID:	229551
PubChem CID:	87568002
Reduced:	NSF3O5C14H14 (1)
Stoich.:	ABC3D5E14F14 (1)
Weight, g/mol:	365.054478
ΔH_f, kcal/mol:	-250.93
Dipole, Da:	4.21
IP(EA), eV:	-10.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-5-nitro-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=CCC(C(C1)[N+](=O)[O-])C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations