Geometry & MOs

Info

ID:	61416
PubChem CID:	26709106
Reduced:	BrOSN6H17C20 (1)
Stoich.:	ABCD6E17F20 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	138.82
Dipole, Da:	7.97
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

DOS

IR

Vibrations