Geometry & MOs

Info

ID:	247955
PubChem CID:	103077742
Reduced:	BrFSCl2O2N4H6C10 (1)
Stoich.:	ABCD2E2F4G6H10 (1)
Weight, g/mol:	400.96118
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	5.92
IP(EA), eV:	-9.46(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-3-butylurea

Drug info:

PubChemData

Smile

C1=CC(=NN=C1NS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl)Cl

DOS

IR

Vibrations