Geometry & MOs

Info

ID:	392287
PubChem CID:	135014175
Reduced:	NO2C27H27 (1)
Stoich.:	AB2C27D27 (1)
Weight, g/mol:	401.199094
ΔH_f, kcal/mol:	26.22
Dipole, Da:	2.82
IP(EA), eV:	-9.23(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC=C

DOS

IR

Vibrations