Geometry & MOs

Info

ID:

375840

PubChem CID:

134221832

Reduced:

F2N2O4H24C27 (1)

Stoich.:

A2B2C4D24E27 (1)

Weight, g/mol:

559.273401

ΔHf, kcal/mol:

-204.27

Dipole, Da:

3.91

IP(EA), eV:

 -8.94(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3,5-dimethylbenzoyl)-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

CC1=CC2=C(CCN2C(=O)C3=CC(=CN=C3)F)C(=C1CC(=O)O)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations