Geometry & MOs

Info

ID:	212486
PubChem CID:	81060693
Reduced:	SN5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	293.079825
ΔH_f, kcal/mol:	53.92
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluoroanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC=NN2C(C)C

DOS

IR

Vibrations