Geometry & MOs

Info

ID:

215623

PubChem CID:

85084997

Reduced:

N4Br6O10H30C31 (1)

Stoich.:

A4B6C10D30E31 (1)

Weight, g/mol:

1097.70007

ΔHf, kcal/mol:

-221.51

Dipole, Da:

4.06

IP(EA), eV:

 -9.46(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3,5-dibromo-4-[3-[[3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]-2-hydroxypropoxy]phenyl]ethyl]-3-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)-2-hydroxyiminopropanamide

Drug info:

PubChemData

Smile

COC1=C(C(C2(CC(=NO2)C(=O)NCCC3=CC(=C(C(=C3)Br)OCC(CNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)O)Br)C=C1Br)O)Br

DOS

IR

Vibrations