Geometry & MOs

Info

ID:	412881
PubChem CID:	135085815
Reduced:	ClSF3O3H8C9 (1)
Stoich.:	ABC3D3E8F9 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-272.59
Dipole, Da:	1.55
IP(EA), eV:	-9.36(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(but-3-yn-2-ylamino) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations