Geometry & MOs

Info

ID:	212557
PubChem CID:	81060976
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	3.09
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=C(C=CC(=C2)OC)Cl

DOS

IR

Vibrations