Geometry & MOs

Info

ID:	71058
PubChem CID:	48414232
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	344.110711
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	4.92
IP(EA), eV:	-9.5(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations