Geometry & MOs

Info

ID:	236512
PubChem CID:	92713650
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	4.73
IP(EA), eV:	-8.32(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(4-oxo-2,3-dihydrothiochromene-8-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@H](C2)NC(=O)NC3=CC=CC4=C3CCCC4

DOS

IR

Vibrations