Geometry & MOs

Info

ID:	401205
PubChem CID:	135050562
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	3.43
Dipole, Da:	2.64
IP(EA), eV:	-8.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-(phenylmethoxymethyl)aziridin-2-yl]ethanol

Drug info:

PubChemData

Smile

C/C(=N/S(=O)C(C)(C)C)/C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations