Geometry & MOs

Info

ID:	137534
PubChem CID:	52222035
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	5.64
IP(EA), eV:	-8.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C)SC2=NN=CN2CC3=CC=CO3

DOS

IR

Vibrations