Geometry & MOs

Info

ID:	157801
PubChem CID:	56437316
Reduced:	SN3O5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	427.147824
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	7.81
IP(EA), eV:	-8.73(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC)C

DOS

IR

Vibrations