Geometry & MOs

Info

ID:

375924

PubChem CID:

134221920

Reduced:

NF5O5H32C33 (1)

Stoich.:

AB5C5D32E33 (1)

Weight, g/mol:

515.18837

ΔHf, kcal/mol:

-435.24

Dipole, Da:

6.64

IP(EA), eV:

 -8.81(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations