Geometry & MOs

Info

ID:

31984

PubChem CID:

3727031

Reduced:

N3O4C38H57 (1)

Stoich.:

A3B4C38D57 (1)

Weight, g/mol:

425.039165

ΔHf, kcal/mol:

-165.22

Dipole, Da:

5.55

IP(EA), eV:

 -8.36(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(C(CN1C)C)(CCNC(=O)CON=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5O)C)C)C6=CC=C(C=C6)OC

DOS

IR

Vibrations