Geometry & MOs

Info

ID:

219260

PubChem CID:

85096749

Reduced:

SiO6C26H40 (1)

Stoich.:

AB6C26D40 (1)

Weight, g/mol:

655.307809

ΔHf, kcal/mol:

-304.76

Dipole, Da:

3.13

IP(EA), eV:

 -9.71(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-[3-(diaminomethylideneamino)propyl]-12-[(1-formylindol-3-yl)methyl]-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CCCCCOC(=O)C(C)(C)C)C=C[Si](C)(C)C

DOS

IR

Vibrations