Geometry & MOs

Info

ID:

54047

PubChem CID:

14719745

Reduced:

SN6O7C14H16 (1)

Stoich.:

AB6C7D14E16 (1)

Weight, g/mol:

608.325023

ΔHf, kcal/mol:

-206.27

Dipole, Da:

4.79

IP(EA), eV:

 -10.5(-1.08)

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] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC

DOS

IR

Vibrations