Geometry & MOs

Info

ID:

215422

PubChem CID:

85084709

Reduced:

Si2N5O9C47H63 (1)

Stoich.:

A2B5C9D47E63 (1)

Weight, g/mol:

900.464644

ΔHf, kcal/mol:

-423.58

Dipole, Da:

4.7

IP(EA), eV:

 -8.59(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-N-[15-benzyl-9-[3-(diaminomethylideneamino)propyl]-12-(naphthalen-2-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)C(C(C(C4NC5=C6C(=NC=N5)N(C=N6)C7CC(C(O7)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations