Geometry & MOs

Info

ID:

375987

PubChem CID:

134221986

Reduced:

FNO5C29H34 (1)

Stoich.:

ABC5D29E34 (1)

Weight, g/mol:

595.213694

ΔHf, kcal/mol:

-241.58

Dipole, Da:

10.04

IP(EA), eV:

 -8.62(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(4-chloro-3-methoxybenzoyl)-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)C3CC3)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations