Geometry & MOs

Info

ID:	133111
PubChem CID:	51477861
Reduced:	SF2N2O2C16H18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	408.126755
ΔH_f, kcal/mol:	-122.99
Dipole, Da:	3.31
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea

Drug info:

PubChemData

Smile

CN(C)[C@H](CNS(=O)(=O)C1=CC=CC=C1F)C2=CC=C(C=C2)F

DOS

IR

Vibrations