Geometry & MOs

Info

ID:

375984

PubChem CID:

134221983

Reduced:

NF2O5C34H35 (1)

Stoich.:

AB2C5D34E35 (1)

Weight, g/mol:

495.165743

ΔHf, kcal/mol:

-260.8

Dipole, Da:

10.13

IP(EA), eV:

 -8.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=CC=C3F)C=C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations