Geometry & MOs

Info

ID:	211859
PubChem CID:	81054564
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	57.48
Dipole, Da:	5.99
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methoxy-3-methylbutan-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(CC2CC2)C3CC3

DOS

IR

Vibrations