Geometry & MOs

Info

ID:	198045
PubChem CID:	79036709
Reduced:	NOSBr2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	300.02735
ΔH_f, kcal/mol:	24.42
Dipole, Da:	3.57
IP(EA), eV:	-9.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-fluorophenyl)-3-cyclopentylurea

Drug info:

PubChemData

Smile

C1CC1C(CNC(=O)C2=CC(=C(S2)Br)Br)C3CC3

DOS

IR

Vibrations