Geometry & MOs

Info

ID:	406799
PubChem CID:	135078667
Reduced:	SF3N3O3H10C13 (1)
Stoich.:	AB3C3D3E10F13 (1)
Weight, g/mol:	274.100066
ΔH_f, kcal/mol:	-212.82
Dipole, Da:	3.67
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]-3-pyridin-3-ylthiourea

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=S)C(C#N)C(=O)N)C(F)(F)F

DOS

IR

Vibrations