Geometry & MOs

Info

ID:	434589
PubChem CID:	135175264
Reduced:	ClNOSH6C8 (1)
Stoich.:	ABCDE6F8 (1)
Weight, g/mol:	340.031393
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	4.74
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(4-chlorophenoxy)phenyl]-3,3-difluoro-2-oxopropanoate

Drug info:

PubChemData

Smile

C1C2=C(C(=CC=C2)Cl)C(=O)N1S

DOS

IR

Vibrations