Geometry & MOs

Info

ID:

335020

PubChem CID:

127253826

Reduced:

N4O4H18C21 (1)

Stoich.:

A4B4C18D21 (1)

Weight, g/mol:

479.216869

ΔHf, kcal/mol:

-36.7

Dipole, Da:

8.6

IP(EA), eV:

 -8.74(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N(/C(=C\2/C=C3C=C(C=CC3=NC2=O)OC)/N1)O)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations