Geometry & MOs

Info

ID:	387166
PubChem CID:	134984270
Reduced:	NOSC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	437.090864
ΔH_f, kcal/mol:	14.57
Dipole, Da:	0.86
IP(EA), eV:	-9.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridin-2-yl]-phenylmethanol

Drug info:

PubChemData

Smile

CCSC(=O)[C@@]1(CN1[C@@H](C)C2=CC=CC=C2)CC=C

DOS

IR

Vibrations