Geometry & MOs

Info

ID:	48583
PubChem CID:	11108715
Reduced:	O2F5H9C12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	280.069536
ΔH_f, kcal/mol:	-298.14
Dipole, Da:	4.1
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S)-aziridine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(C=C2)(C(F)F)C(F)(F)F

DOS

IR

Vibrations