Geometry & MOs

Info

ID:	389957
PubChem CID:	134996247
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	218.112922
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	2.82
IP(EA), eV:	-9.17(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(4-phenylbutan-2-ylidene)thiolane

Drug info:

PubChemData

Smile

CC(C)C/C(=C(/C(=O)N1CCOCC1)\OC)/C

DOS

IR

Vibrations