Geometry & MOs

Info

ID:	36392
PubChem CID:	8005177
Reduced:	SF3N3H10C17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	362.09498
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	5.72
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NC3=C2N=C(C=C3C(F)(F)F)C4=CC=CS4

DOS

IR

Vibrations