Geometry & MOs

Info

ID:	201171
PubChem CID:	79500046
Reduced:	OSCl2N4H10C12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	18.55
Dipole, Da:	1.1
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-methylpyrazol-3-yl)hexanamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=S)N)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations