Geometry & MOs

Info

ID:	212323
PubChem CID:	81060142
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	52.05
Dipole, Da:	5.0
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations