Geometry & MOs

Info

ID:	387036
PubChem CID:	134983762
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-200.81
Dipole, Da:	3.38
IP(EA), eV:	-9.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-1-benzhydryl-3-butylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

COC[C@@H]1[C@@H]([C@H](C(=O)O1)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations