Geometry & MOs

Info

ID:	399909
PubChem CID:	135043736
Reduced:	FON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	253.095892
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	6.77
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl) N,N-diethylcarbamodithioate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(C(=O)N2C)(C#N)F

DOS

IR

Vibrations