Geometry & MOs

Info

ID:

375835

PubChem CID:

134221827

Reduced:

NF2O5C33H35 (1)

Stoich.:

AB2C5D33E35 (1)

Weight, g/mol:

495.165743

ΔHf, kcal/mol:

-286.01

Dipole, Da:

12.21

IP(EA), eV:

 -8.6(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3,5-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=CC(=C(C=C1)F)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations