Geometry & MOs

Info

ID:

16224

PubChem CID:

462186

Reduced:

ClN3O5C26H28 (1)

Stoich.:

AB3C5D26E28 (1)

Weight, g/mol:

497.171749

ΔHf, kcal/mol:

-172.95

Dipole, Da:

9.8

IP(EA), eV:

 -8.83(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(19S)-19-ethyl-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-19-yl] 2-(diethylamino)acetate;hydrochloride

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(CC)CC.Cl

DOS

IR

Vibrations