Geometry & MOs

Info

ID:

401006

PubChem CID:

135049763

Reduced:

O3C14H18 (4)

Stoich.:

A3B14C18 (4)

Weight, g/mol:

513.08432

ΔHf, kcal/mol:

13.19

Dipole, Da:

15.15

IP(EA), eV:

 -5.32(-4.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-acetyl-2-naphthalen-2-yl-3-phenylselanylindole-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCC[C@H]1C2=CC3=C4C(=C2COOC5=C1C=C6[C@@H](C7=C(C(=C8C(=C7)[C@@H](C9=C(C(=C(C(=C9)[C@@H]3CCCCCC)OCO4)O)OCO8)CCCCCC)O)OCOC6=C5O)CCCCCC)O

DOS

IR

Vibrations