Geometry & MOs

Info

ID:	73362
PubChem CID:	48417522
Reduced:	OCl2N6H14C17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	356.069159
ΔH_f, kcal/mol:	69.62
Dipole, Da:	4.0
IP(EA), eV:	-9.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=C2)Cl)Cl)C)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations