Geometry & MOs

Info

ID:	154771
PubChem CID:	56314293
Reduced:	ClFON2S2H18C19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	358.126361
ΔH_f, kcal/mol:	-24.99
Dipole, Da:	1.77
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CSC(=N1)C2=CC=C(S2)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations