Geometry & MOs

Info

ID:	312634
PubChem CID:	126607009
Reduced:	ClFN4O4C34H38 (1)
Stoich.:	ABC4D4E34F38 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	6.78
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-cyano-3-methylcyclohexa-1,5-dien-1-yl)oxaziridine-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C(=C(/C(=C(C)C)C1=CC(=O)N(CC1)C2CCCC(C(=O)NC3=C(C=CC(=C3)NC(=O)OC)C4=CC2=NC=C4)C)\F)\Cl

DOS

IR

Vibrations