Geometry & MOs

Info

ID:	361359
PubChem CID:	127302668
Reduced:	SO2N7C17H23 (1)
Stoich.:	AB2C7D17E23 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	40.17
Dipole, Da:	4.26
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)SC3=NN=C(N3C4CC4)N5CCOCC5

DOS

IR

Vibrations