Geometry & MOs

Info

ID:

375857

PubChem CID:

134221851

Reduced:

O2N4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

633.190513

ΔHf, kcal/mol:

-11.04

Dipole, Da:

8.74

IP(EA), eV:

 -8.93(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-[4-chloro-2-(trifluoromethyl)benzoyl]-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=CC2=C(C=C1N3CCC(CC3)NCCO)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C

DOS

IR

Vibrations