Geometry & MOs

Info

ID:

164652

PubChem CID:

74432385

Reduced:

BrO2F4H17C18 (1)

Stoich.:

AB2C4D17E18 (1)

Weight, g/mol:

907.360833

ΔHf, kcal/mol:

-225.79

Dipole, Da:

4.37

IP(EA), eV:

 -9.55(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[2-ethyl-1-(phenoxysulfonylcarbamoyl)cyclopropyl]carbamoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C(C(F)(F)Br)(F)F)OCC2=CC=CC=C2

DOS

IR

Vibrations