Geometry & MOs

Info

ID:	387401
PubChem CID:	134985240
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	432.998389
ΔH_f, kcal/mol:	16.63
Dipole, Da:	3.42
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2-(4-chlorophenyl)-3-phenylaziridine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1[C@H]([C@H]1C2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations