Geometry & MOs

Info

ID:	212259
PubChem CID:	81059947
Reduced:	SN4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	1.11
Dipole, Da:	4.73
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CNC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations