Geometry & MOs

Info

ID:

375842

PubChem CID:

134221834

Reduced:

FNO2C23H28 (1)

Stoich.:

ABC2D23E28 (1)

Weight, g/mol:

591.263231

ΔHf, kcal/mol:

-101.37

Dipole, Da:

5.63

IP(EA), eV:

 -8.51(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,4-dimethoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCC/C(=C\C1=C(CCN1C=O)C(=C)C2=CC(=C3C(=C2C)CCCO3)F)/C

DOS

IR

Vibrations