Geometry & MOs

Info

ID:	211794
PubChem CID:	81054195
Reduced:	O2S2N3C11H17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	414.91764
ΔH_f, kcal/mol:	-68.79
Dipole, Da:	8.29
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dibromoanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCCS(=O)(=O)C

DOS

IR

Vibrations