Geometry & MOs

Info

ID:

375986

PubChem CID:

134221985

Reduced:

BrNOCl3F3H20C22 (1)

Stoich.:

ABCD3E3F20G22 (1)

Weight, g/mol:

495.242101

ΔHf, kcal/mol:

-193.13

Dipole, Da:

4.2

IP(EA), eV:

 -9.59(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(cyclopropanecarbonyl)-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

CCC(CC)NC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations