Geometry & MOs

Info

ID:	387039
PubChem CID:	134983768
Reduced:	NCl3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	357.172879
ΔH_f, kcal/mol:	60.32
Dipole, Da:	1.53
IP(EA), eV:	-9.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C2(Cl)Cl)(C3=CC=CC=C3)Cl

DOS

IR

Vibrations