Geometry & MOs

Info

ID:

170939

PubChem CID:

75303936

Reduced:

SN5O6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

476.133199

ΔHf, kcal/mol:

-145.03

Dipole, Da:

4.52

IP(EA), eV:

 -9.33(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-19-hydroxy-21-nitro-10-(prop-2-enoxyiminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)NCC(C(=O)NO)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations