Geometry & MOs

Info

ID:	216899
PubChem CID:	85086943
Reduced:	ON2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	67.62
Dipole, Da:	2.84
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-methyl-3-sulfanyloxolan-2-yl)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2(C3=C(C=CC=N3)C(=O)N2)C4=CC=CC=C4

DOS

IR

Vibrations