Geometry & MOs

Info

ID:	387402
PubChem CID:	134985241
Reduced:	NO2Cl4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	1.96
IP(EA), eV:	-9.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (2S)-2-ethyl-1-[(1S)-1-phenylethyl]aziridine-2-carbothioate

Drug info:

PubChemData

Smile

CC(C)(C(Cl)(Cl)Cl)OC(=O)N1[C@@H]([C@H]1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations