Geometry & MOs

Info

ID:	447581
PubChem CID:	135283984
Reduced:	F3N3C10H14 (1)
Stoich.:	A3B3C10D14 (1)
Weight, g/mol:	310.023057
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	3.79
IP(EA), eV:	-9.46(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-benzylsulfanyl-2-chloro-5-fluorobenzoate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@H]2C[C@H](CCN2)C(F)(F)F

DOS

IR

Vibrations