Geometry & MOs

Info

ID:

190402

PubChem CID:

77997550

Reduced:

BrO3N8C23H27 (1)

Stoich.:

AB3C8D23E27 (1)

Weight, g/mol:

526.258006

ΔHf, kcal/mol:

-4.54

Dipole, Da:

2.89

IP(EA), eV:

 -9.01(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyano-N-[4-hydroxy-1-[4-[8-(3-hydroxyprop-1-enyl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC[N+]1=C2C(=NC1=[N+]3CCCC(C3)N)C(=O)N(N(C2=O)CC4=C(C=C(C=C4)Br)C#N)CC(=O)NC

DOS

IR

Vibrations