Geometry & MOs

Info

ID:

170898

PubChem CID:

75296129

Reduced:

ClN5O6C26H28 (1)

Stoich.:

AB5C6D26E28 (1)

Weight, g/mol:

505.196134

ΔHf, kcal/mol:

-169.83

Dipole, Da:

11.21

IP(EA), eV:

 -9.54(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-aminopropyl)-2-[(19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl)methylideneamino]oxyacetamide

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOCC(=O)NCCCN)O.Cl

DOS

IR

Vibrations