Geometry & MOs

Info

ID:

831

PubChem CID:

3412

Reduced:

N7O11C22H37 (1)

Stoich.:

A7B11C22D37 (1)

Weight, g/mol:

575.255105

ΔHf, kcal/mol:

-395.21

Dipole, Da:

5.5

IP(EA), eV:

 -9.56(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-5-[formyl(hydroxy)amino]-N-[1-[3-[5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC(=O)NC(CCCN(C=O)O)C(=O)NC(CO)C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C=O)O)O

DOS

IR

Vibrations