Geometry & MOs

Info

ID:	212257
PubChem CID:	81059945
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	4.92
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C1=C(C(=NC(=C1)C)C)C(=S)N

DOS

IR

Vibrations