Geometry & MOs

Info

ID:	52451
PubChem CID:	12015314
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	2.49
IP(EA), eV:	-9.26(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1R,2R,6R,7S)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CCCC(C1)OC(=O)C

DOS

IR

Vibrations