Geometry & MOs

Info

ID:	425430
PubChem CID:	135126305
Reduced:	IF2O2S2N3C11H14 (1)
Stoich.:	AB2C2D2E3F11G14 (1)
Weight, g/mol:	448.95402
ΔH_f, kcal/mol:	-122.75
Dipole, Da:	3.96
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-difluoro-5-iodophenyl)-1-(methylsulfamoyl)propan-2-yl]thiourea

Drug info:

PubChemData

Smile

C[C@](CS(=O)(=O)NC)(C1=C(C(=CC(=C1)I)F)F)NC(=S)N

DOS

IR

Vibrations