Geometry & MOs

Info

ID:	158620
PubChem CID:	56464325
Reduced:	OSN3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	440.179459
ΔH_f, kcal/mol:	-33.9
Dipole, Da:	3.39
IP(EA), eV:	-8.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations