Geometry & MOs

Info

ID:	443196
PubChem CID:	135258076
Reduced:	F3O3N6C24H25 (1)
Stoich.:	A3B3C6D24E25 (1)
Weight, g/mol:	465.158309
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1CC(C1)N2C=C(C(=N2)/C(=C/C=C)/N=C(C)C(F)(F)F)NC(=O)C3=CC=C(O3)C4=CNN=C4

DOS

IR

Vibrations