Geometry & MOs

Info

ID:	170658
PubChem CID:	75263968
Reduced:	FSN3O3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	450.112854
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	9.17
IP(EA), eV:	-9.29(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)C3=CC=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations