Geometry & MOs

Info

ID:

375894

PubChem CID:

134221888

Reduced:

FNO2C29H34 (1)

Stoich.:

ABC2D29E34 (1)

Weight, g/mol:

559.273401

ΔHf, kcal/mol:

-103.12

Dipole, Da:

6.38

IP(EA), eV:

 -8.45(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3,4-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

CCC1=C(C(=CC(=C1C)F)C2=C(C(=CC3=C2CCN3C(=C)/C(=C/C(=C)C)/C)C)CC(=O)O)C

DOS

IR

Vibrations