Geometry & MOs

Info

ID:

311129

PubChem CID:

126589512

Reduced:

NOC11H21 (1)

Stoich.:

ABC11D21 (1)

Weight, g/mol:

586.307475

ΔHf, kcal/mol:

-64.01

Dipole, Da:

3.86

IP(EA), eV:

 -8.93(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[[2-[2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[1-hydroxy-6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexyl]amino]acetamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(C)C(=O)N(C)C=C

DOS

IR

Vibrations