Geometry & MOs

Info

ID:

81492

PubChem CID:

49854786

Reduced:

FSN4O4H17C22 (1)

Stoich.:

ABC4D4E17F22 (1)

Weight, g/mol:

416.201458

ΔHf, kcal/mol:

-56.44

Dipole, Da:

11.13

IP(EA), eV:

 -8.88(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)OCC=C)C(=O)NC4=NC=C(S4)F

DOS

IR

Vibrations