Geometry & MOs

Info

ID:

80702

PubChem CID:

49835930

Reduced:

FOSN3C20H22 (1)

Stoich.:

ABCD3E20F22 (1)

Weight, g/mol:

682.309129

ΔHf, kcal/mol:

-32.21

Dipole, Da:

5.03

IP(EA), eV:

 -8.12(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S,5S,8S,11S)-8-(2-amino-2-oxoethyl)-3,6,9,12,20-pentaoxo-5,11-di(propan-2-yl)-1,4,7,10,13-pentazacycloicos-2-yl]methyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=CC=C3F)C)/S1)CC

DOS

IR

Vibrations