Geometry & MOs

Info

ID:	81654
PubChem CID:	49854971
Reduced:	N2O2F5H9C15 (1)
Stoich.:	A2B2C5D9E15 (1)
Weight, g/mol:	360.028868
ΔH_f, kcal/mol:	-274.15
Dipole, Da:	3.23
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(3-fluoro-5-formylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)NC(=O)NC2=CC(=CC(=C2)C=O)F

DOS

IR

Vibrations