Geometry & MOs

Info

ID:	357958
PubChem CID:	127295458
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	8.53
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-[methyl(oxan-3-ylmethyl)amino]propanamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations