Geometry & MOs

Info

ID:	373739
PubChem CID:	131319547
Reduced:	FNSO2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	4.0
IP(EA), eV:	-9.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(chloromethyl)-6-cyano-3-ethylbenzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1C=CCN)F

DOS

IR

Vibrations