Geometry & MOs

Info

ID:	284814
PubChem CID:	104072308
Reduced:	ClN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	236.030729
ΔH_f, kcal/mol:	36.05
Dipole, Da:	2.78
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC2=NC=NC(=C2Cl)N

DOS

IR

Vibrations