Geometry & MOs

Info

ID:

312025

PubChem CID:

126601966

Reduced:

FNO6C36H38 (1)

Stoich.:

ABC6D36E38 (1)

Weight, g/mol:

599.22464

ΔHf, kcal/mol:

-244.75

Dipole, Da:

6.59

IP(EA), eV:

 -8.75(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[5-bromo-4-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-[(E)-3-(oxan-4-yl)prop-1-enyl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCCC5)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations