Geometry & MOs

Info

ID:

418832

PubChem CID:

135106937

Reduced:

N4O4C21H28 (1)

Stoich.:

A4B4C21D28 (1)

Weight, g/mol:

587.201613

ΔHf, kcal/mol:

-84.89

Dipole, Da:

4.08

IP(EA), eV:

 -8.62(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CCN(CC4)CCO

DOS

IR

Vibrations