Geometry & MOs

Info

ID:

215070

PubChem CID:

85084100

Reduced:

N6O10C33H48 (1)

Stoich.:

A6B10C33D48 (1)

Weight, g/mol:

688.354425

ΔHf, kcal/mol:

-460.51

Dipole, Da:

5.23

IP(EA), eV:

 -9.2(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[11-[3-(diaminomethylideneamino)propyl]-14-ethyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetyl]oxyethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)N

DOS

IR

Vibrations