Geometry & MOs

Info

ID:	153484
PubChem CID:	56312707
Reduced:	S2N3O4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	415.128981
ΔH_f, kcal/mol:	-118.58
Dipole, Da:	5.13
IP(EA), eV:	-8.29(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)CN4CCOCC4

DOS

IR

Vibrations