Geometry & MOs

Info

ID:	387042
PubChem CID:	134983777
Reduced:	NOSC21H23 (1)
Stoich.:	ABCD21E23 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	41.93
Dipole, Da:	0.96
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-3-(methoxymethoxy)-1-tritylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCSC(=O)[C@@]1(CN1[C@@H](C)C2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations