Geometry & MOs

Info

ID:

375979

PubChem CID:

134221978

Reduced:

FNO7C34H38 (1)

Stoich.:

ABC7D34E38 (1)

Weight, g/mol:

516.20605

ΔHf, kcal/mol:

-305.36

Dipole, Da:

9.75

IP(EA), eV:

 -8.67(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-acetamidobenzoyl)-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(=C3)OC)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations