Geometry & MOs

Info

ID:	155681
PubChem CID:	56366880
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	4.29
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations