Geometry & MOs

Info

ID:	153887
PubChem CID:	56313222
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	402.224261
ΔH_f, kcal/mol:	-111.69
Dipole, Da:	8.13
IP(EA), eV:	-8.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCC(C3)C(=O)NCC4CC4

DOS

IR

Vibrations