Geometry & MOs

Info

ID:

376010

PubChem CID:

134222010

Reduced:

NOSCl3F3H19C24 (1)

Stoich.:

ABCD3E3F19G24 (1)

Weight, g/mol:

625.265122

ΔHf, kcal/mol:

-144.43

Dipole, Da:

5.51

IP(EA), eV:

 -9.55(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(4-methoxy-3-methylbenzoyl)-6-methyl-4-[5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)C(=O)CCCC3=CN=C(S3)Cl

DOS

IR

Vibrations