Geometry & MOs

Info

ID:

375928

PubChem CID:

134221924

Reduced:

NOSCl2F3C23H24 (1)

Stoich.:

ABCD2E3F23G24 (1)

Weight, g/mol:

528.262422

ΔHf, kcal/mol:

-194.35

Dipole, Da:

3.93

IP(EA), eV:

 -8.67(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)CNC(=O)CCSC)Cl)C(F)(F)F

DOS

IR

Vibrations