Geometry & MOs

Info

ID:	226484
PubChem CID:	87457478
Reduced:	ClFeON2C14H27 (1)
Stoich.:	ABCD2E14F27 (1)
Weight, g/mol:	398.022737
ΔH_f, kcal/mol:	59.25
Dipole, Da:	58.26
IP(EA), eV:	-5.7(-3.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclopropyl-5-[5-(methylamino)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

CCCCCCCCCCN1C=C[N+](=C1)C.O=[Fe].[Cl-]

DOS

IR

Vibrations