Geometry & MOs

Info

ID:

375978

PubChem CID:

134221977

Reduced:

FNO4C30H30 (1)

Stoich.:

ABC4D30E30 (1)

Weight, g/mol:

591.263231

ΔHf, kcal/mol:

-161.0

Dipole, Da:

8.63

IP(EA), eV:

 -8.52(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,5-dimethoxybenzoyl)-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=C(C=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)CC=O)C)OC

DOS

IR

Vibrations