Geometry & MOs

Info

ID:

187565

PubChem CID:

77592744

Reduced:

N4O5C25H26 (1)

Stoich.:

A4B5C25D26 (1)

Weight, g/mol:

494.143764

ΔHf, kcal/mol:

-150.12

Dipole, Da:

11.64

IP(EA), eV:

 -8.74(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-ethyl-10-(2-hydroxyethylamino)-8-nitro-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] acetate

Drug info:

PubChemData

Smile

CCCNC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)C)C2=NC5=CC=CC(=C51)N

DOS

IR

Vibrations