Geometry & MOs

Info

ID:	397370
PubChem CID:	135030122
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	437.05785
ΔH_f, kcal/mol:	44.17
Dipole, Da:	8.03
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1,1,1-trifluoro-3-[(4-methylphenyl)sulfonylamino]propan-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC(=CC=C5)OC

DOS

IR

Vibrations