Geometry & MOs

Info

ID:	58074
PubChem CID:	24423886
Reduced:	ClS2O4N5C14H14 (1)
Stoich.:	AB2C4D5E14F14 (1)
Weight, g/mol:	495.023802
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	4.31
IP(EA), eV:	-9.26(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(2-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

CNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations