Geometry & MOs

Info

ID:

376003

PubChem CID:

134222002

Reduced:

PF2O18C90H97 (1)

Stoich.:

AB2C18D90E97 (1)

Weight, g/mol:

527.208356

ΔHf, kcal/mol:

-675.97

Dipole, Da:

4.65

IP(EA), eV:

 -9.23(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[2-methoxy-3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(O2)OCC(C(C(COP(=O)(OCC3=CC=CC=C3)OC4C(OC(C4F)OCC(C(C(CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)OCC1=CC=CC=C1

DOS

IR

Vibrations