Geometry & MOs

Info

ID:	224934
PubChem CID:	85730949
Reduced:	OCl2N2F3H5C11 (1)
Stoich.:	AB2C2D3E5F11 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	2.22
IP(EA), eV:	-9.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-(4-fluorophenoxy)furan-2-yl]pent-4-ynyl]-1-hydroxyurea

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)C2=NOC(=N2)CC(=C(F)F)F

DOS

IR

Vibrations