Geometry & MOs

Info

ID:	158240
PubChem CID:	56463217
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	414.188961
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	6.0
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations