Geometry & MOs

Info

ID:	211853
PubChem CID:	81054448
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	309.050275
ΔH_f, kcal/mol:	26.06
Dipole, Da:	4.14
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-fluoroanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)/C(=N/O)/N)N(C)CC2CC2

DOS

IR

Vibrations