Geometry & MOs

Info

ID:	120958
PubChem CID:	50751723
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	11.23
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations