Geometry & MOs

Info

ID:

311333

PubChem CID:

126590515

Reduced:

SO6C22H24 (1)

Stoich.:

AB6C22D24 (1)

Weight, g/mol:

894.411662

ΔHf, kcal/mol:

-208.75

Dipole, Da:

8.24

IP(EA), eV:

 -9.21(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-1-[[(4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutyl]-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)CCC2=CC3=C(C=C2)OC(=C3C(=O)OCC)C

DOS

IR

Vibrations