Geometry & MOs

Info

ID:	60710
PubChem CID:	26697483
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	3.02
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopentyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCC3)OC

DOS

IR

Vibrations