Geometry & MOs

Info

ID:	390391
PubChem CID:	134998911
Reduced:	NSF3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-82.23
Dipole, Da:	3.62
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-phenylsulfanyliminomethyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/N=C/C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations