Geometry & MOs

Info

ID:	73032
PubChem CID:	48416847
Reduced:	O3N4H14C18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	352.074245
ΔH_f, kcal/mol:	24.78
Dipole, Da:	3.92
IP(EA), eV:	-8.87(-1.28)
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]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations