Geometry & MOs

Info

ID:

179909

PubChem CID:

76553745

Reduced:

O3N6C24H26 (1)

Stoich.:

A3B6C24D26 (1)

Weight, g/mol:

712.260525

ΔHf, kcal/mol:

-42.82

Dipole, Da:

4.2

IP(EA), eV:

 -8.52(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-ethyl-19-hydroxy-10-[(2-methylpropan-2-yl)oxyiminomethyl]-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-7-yl] 4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C2=CC=CC=C2)NC(=O)C3CC(CN3C(=O)NC4=CN(C5=CC=CC=C54)C(=O)N)N

DOS

IR

Vibrations