Geometry & MOs

Info

ID:	211786
PubChem CID:	81054125
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	25.28
Dipole, Da:	3.96
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(oxan-4-ylamino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC(C)C2CC2

DOS

IR

Vibrations