Geometry & MOs

Info

ID:	310695
PubChem CID:	126584353
Reduced:	FOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	460.19444
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	3.98
IP(EA), eV:	-8.31(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]ethyl]-1,1-dipropylurea

Drug info:

PubChemData

Smile

CN(CCC(=O)N)SC1=CC=C(C=C1)C2=CNC3=C2C=CC(=C3)F

DOS

IR

Vibrations