Geometry & MOs

Info

ID:	120957
PubChem CID:	50751722
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	4.06
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NC3CCCC3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations