Geometry & MOs

Info

ID:	43556
PubChem CID:	10321464
Reduced:	ClSO2N4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	448.970842
ΔH_f, kcal/mol:	41.91
Dipole, Da:	5.85
IP(EA), eV:	-9.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C4=NNC(=O)O4)N5C=CC=C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations