Geometry & MOs

Info

ID:	346392
PubChem CID:	127270896
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	3.3
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-oxoethyl]-3-cyclopentylpropanamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations