Geometry & MOs

Info

ID:	390412
PubChem CID:	134999045
Reduced:	ON3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	478.225643
ΔH_f, kcal/mol:	76.46
Dipole, Da:	4.32
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-tritylaziridin-2-yl]-(furan-2-yl)methanol

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2([C@H](N2C3=CC=CC=C3)C4=CC=CC=N4)CC5=CC=CC=C5)C

DOS

IR

Vibrations