Geometry & MOs

Info

ID:

188381

PubChem CID:

77707707

Reduced:

F2N2O2C27H34 (1)

Stoich.:

A2B2C2D27E34 (1)

Weight, g/mol:

852.484846

ΔHf, kcal/mol:

-176.89

Dipole, Da:

5.13

IP(EA), eV:

 -8.64(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]-2-[3-(2,6-diaminohexanoylamino)propylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)N(C)C4=C(C=CC=C4F)F)CC=C5C3(CCC(=O)N5C)C

DOS

IR

Vibrations