Geometry & MOs

Info

ID:	404628
PubChem CID:	135067996
Reduced:	N2O5H22C25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	446.91952
ΔH_f, kcal/mol:	-35.34
Dipole, Da:	9.61
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,2,2-trichloro-1-phenylethyl] 2-(2-bromophenyl)aziridine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C(=C[C@@H](N2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations