Geometry & MOs

Info

ID:

376000

PubChem CID:

134221999

Reduced:

NF4O6C34H35 (1)

Stoich.:

AB4C6D34E35 (1)

Weight, g/mol:

571.257003

ΔHf, kcal/mol:

-431.43

Dipole, Da:

11.49

IP(EA), eV:

 -8.85(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C(=CC=C3)C(F)(F)F)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations