Geometry & MOs

Info

ID:	58388
PubChem CID:	24698126
Reduced:	FNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-160.41
Dipole, Da:	6.48
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(2-methylpropyl)anilino]propanethioamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=C(C=CC(=C2)C(=O)N)F)C(=O)O

DOS

IR

Vibrations