Geometry & MOs

Info

ID:	154510
PubChem CID:	56313966
Reduced:	S2N3O5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	398.156575
ΔH_f, kcal/mol:	-121.12
Dipole, Da:	6.69
IP(EA), eV:	-8.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations