Geometry & MOs

Info

ID:

80822

PubChem CID:

49846263

Reduced:

FN7O10C46H58 (1)

Stoich.:

AB7C10D46E58 (1)

Weight, g/mol:

599.03034

ΔHf, kcal/mol:

-431.75

Dipole, Da:

6.11

IP(EA), eV:

 -8.08(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-2-deuterio-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC([C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)F)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)OC)NC(=O)OC)NC(=O)OC)OC

DOS

IR

Vibrations