Geometry & MOs

Info

ID:	155748
PubChem CID:	56367313
Reduced:	SO2Cl3N3H10C16 (1)
Stoich.:	AB2C3D3E10F16 (1)
Weight, g/mol:	425.071324
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	4.77
IP(EA), eV:	-9.14(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-methyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC(=O)CNC(=O)C2=C(C3=C(S2)C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations