Geometry & MOs

Info

ID:	425429
PubChem CID:	135126302
Reduced:	FON5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	448.95402
ΔH_f, kcal/mol:	20.91
Dipole, Da:	3.82
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=C(C=CC=N4)F)C

DOS

IR

Vibrations