Geometry & MOs

Info

ID:	353055
PubChem CID:	127284205
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	393.127776
ΔH_f, kcal/mol:	2.62
Dipole, Da:	2.52
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations