Geometry & MOs

Info

ID:

187137

PubChem CID:

77534559

Reduced:

SF3N3O4C43H46 (1)

Stoich.:

AB3C3D4E43F46 (1)

Weight, g/mol:

757.316113

ΔHf, kcal/mol:

-260.8

Dipole, Da:

10.08

IP(EA), eV:

 -8.08(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-tert-butylsulfanyl-5-[1-(2,3-dihydro-1H-indol-2-yl)-2-oxopropoxy]-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]methyl]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(CC1=C(C2=C(N1CC3=CC=C(C=C3)C4=NC=C(C=C4)C(F)(F)F)C=CC(=C2)OCC5CC6=CC=CC=C6N5C(=O)C)SC(C)(C)C)C(=O)O

DOS

IR

Vibrations