Geometry & MOs

Info

ID:	444674
PubChem CID:	135263240
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	276.152558
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	6.79
IP(EA), eV:	-8.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-[(4-fluorophenyl)methylidene]dec-2-enoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(S2)C(=O)NC(CC3=CNC4=CC=CC=C43)COC

DOS

IR

Vibrations