Geometry & MOs

Info

ID:	402441
PubChem CID:	135055964
Reduced:	NF4O5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-395.62
Dipole, Da:	6.61
IP(EA), eV:	-10.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,6R)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]([C@H](C1=CC=C(C=C1)C(F)(F)F)NC(=O)OC(C)(C)C)(C(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations