Geometry & MOs

Info

ID:	396904
PubChem CID:	135029410
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	279.054084
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	3.35
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)aziridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(N2C)C=O

DOS

IR

Vibrations