Geometry & MOs

Info

ID:

182104

PubChem CID:

76842522

Reduced:

N2O9H22C27 (1)

Stoich.:

A2B9C22D27 (1)

Weight, g/mol:

575.368284

ΔHf, kcal/mol:

-284.14

Dipole, Da:

8.3

IP(EA), eV:

 -8.83(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-[2-[(dimethylamino)methyl]furan-3-carbonyl]piperidin-4-yl]-N,3,3-trimethylbutanamide

Drug info:

PubChemData

Smile

C1C2C(C3C(=CC4=CC5=C(C=C4)NCO5)C6=C(C(=CC=C6)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O

DOS

IR

Vibrations