Geometry & MOs

Info

ID:	212444
PubChem CID:	81060557
Reduced:	FSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	300.140868
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	2.3
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)anilino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCCC2=CC(=CC=C2)F

DOS

IR

Vibrations