Geometry & MOs

Info

ID:	211850
PubChem CID:	81054430
Reduced:	SN3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	8.68
Dipole, Da:	3.47
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(1-phenylethoxy)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2C(C2(C)C)(C)C

DOS

IR

Vibrations