Geometry & MOs

Info

ID:	374142
PubChem CID:	131324305
Reduced:	ClINSH2F3O4C6 (1)
Stoich.:	ABCDE2F3G4H6 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	-275.65
Dipole, Da:	8.77
IP(EA), eV:	-10.26(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-3-cyano-5-methoxybenzoate

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=C(N1)OC(F)(F)F)I)S(=O)(=O)Cl

DOS

IR

Vibrations