Geometry & MOs

Info

ID:

445526

PubChem CID:

135267623

Reduced:

FN2O3H23C26 (1)

Stoich.:

AB2C3D23E26 (1)

Weight, g/mol:

634.259148

ΔHf, kcal/mol:

-62.2

Dipole, Da:

7.01

IP(EA), eV:

 -8.49(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(tert-butylcarbamoyl)phenyl]-8-[2-(cyclohexa-2,4-dien-1-ylamino)-2-oxoacetyl]-2-(4-fluorophenyl)-N-methyl-4,6-dihydro-3aH-furo[2,3-e]indole-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C(C)C1=C2C(=C3C(=C1)C(=C(O3)C4=CC=C(C=C4)F)C(=O)NC)C=CN2)\C=O

DOS

IR

Vibrations