Geometry & MOs

Info

ID:	322735
PubChem CID:	126670935
Reduced:	NF2O4C15H25 (1)
Stoich.:	AB2C4D15E25 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-322.37
Dipole, Da:	4.37
IP(EA), eV:	-10.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.2.0]hept-6-yne-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C[C@@](CN1C(=O)OC(C)(C)C)(CF)F

DOS

IR

Vibrations