Geometry & MOs

Info

ID:	393073
PubChem CID:	135019233
Reduced:	SO3C28H38 (1)
Stoich.:	AB3C28D38 (1)
Weight, g/mol:	442.214409
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	2.23
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 5,6-diethyl-1,3-dihydroindene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC/C=C\[C@H](C1[C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations