Geometry & MOs

Info

ID:

189064

PubChem CID:

77812069

Reduced:

N2F3C19H19 (1)

Stoich.:

A2B3C19D19 (1)

Weight, g/mol:

785.376656

ΔHf, kcal/mol:

-71.0

Dipole, Da:

3.13

IP(EA), eV:

 -9.05(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[2-ethenyl-1-[2-(1-methylcyclopropyl)oxyethylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)C(CF)(F)F

DOS

IR

Vibrations