Geometry & MOs

Info

ID:

187564

PubChem CID:

77592743

Reduced:

N4O5H26C29 (1)

Stoich.:

A4B5C26D29 (1)

Weight, g/mol:

462.19032

ΔHf, kcal/mol:

-114.09

Dipole, Da:

8.56

IP(EA), eV:

 -8.64(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-amino-19-ethyl-14,18-dioxo-10-(propylamino)-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-19-yl] acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC=C5N=C4C3=C2)N)NCC6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations