Geometry & MOs

Info

ID:

378905

PubChem CID:

134225008

Reduced:

N2C11H17 (2)

Stoich.:

A2B11C17 (2)

Weight, g/mol:

561.190988

ΔHf, kcal/mol:

55.48

Dipole, Da:

2.56

IP(EA), eV:

 -8.99(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4E,6E)-7-[[(4R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxy]-2-aminonona-4,6,8-trienoate

Drug info:

PubChemData

Smile

CCC(=C)C(C)(C)C(C)/C=C\C=C/CN(CC=C)C1=NC(=NC(=N1)C)C

DOS

IR

Vibrations