Geometry & MOs

Info

ID:

191393

PubChem CID:

78141994

Reduced:

O13C48H58 (1)

Stoich.:

A13B48C58 (1)

Weight, g/mol:

480.226037

ΔHf, kcal/mol:

-487.71

Dipole, Da:

3.27

IP(EA), eV:

 -9.29(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-hydroxy-3-nitro-2'-oxo-4-phenyl-2-propan-2-ylspiro[cyclohexane-1,3'-indole]-1'-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6)O

DOS

IR

Vibrations