Geometry & MOs

Info

ID:	70998
PubChem CID:	48414160
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-40.84
Dipole, Da:	6.71
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations