Geometry & MOs

Info

ID:	295244
PubChem CID:	117523115
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	183.051799
ΔH_f, kcal/mol:	21.54
Dipole, Da:	4.37
IP(EA), eV:	-10.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorophenyl)ethanimidothioate

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)C1=CC=CC=N1

DOS

IR

Vibrations