Geometry & MOs

Info

ID:	425272
PubChem CID:	135125745
Reduced:	SF2O2N5H19C20 (1)
Stoich.:	AB2C2D5E19F20 (1)
Weight, g/mol:	541.15167
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	3.18
IP(EA), eV:	-9.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorophenyl]-1-(methylsulfamoyl)propan-2-yl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)N(C(=N3)N)C)C)/F)C#N

DOS

IR

Vibrations