Geometry & MOs

Info

ID:	153387
PubChem CID:	56312575
Reduced:	N3O3S3C22H27 (1)
Stoich.:	A3B3C3D22E27 (1)
Weight, g/mol:	388.244996
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	2.02
IP(EA), eV:	-8.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)C)C3=CSC=C3

DOS

IR

Vibrations