Geometry & MOs

Info

ID:	299856
PubChem CID:	117703598
Reduced:	SO2F3N4H13C17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-142.4
Dipole, Da:	9.08
IP(EA), eV:	-9.25(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(E)-1-[4-(5-oxohexoxy)phenyl]propan-2-ylideneamino]-3-sulfanylbutanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations