Geometry & MOs

Info

ID:	70966
PubChem CID:	48414112
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	5.68
Dipole, Da:	8.15
IP(EA), eV:	-8.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations