Geometry & MOs

Info

ID:	158468
PubChem CID:	56463732
Reduced:	FSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	403.204196
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	7.2
IP(EA), eV:	-9.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations