Geometry & MOs

Info

ID:

16818

PubChem CID:

477084

Reduced:

N10O11C35H60 (1)

Stoich.:

A10B11C35D60 (1)

Weight, g/mol:

796.444303

ΔHf, kcal/mol:

-385.19

Dipole, Da:

12.36

IP(EA), eV:

 -9.36(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O

DOS

IR

Vibrations