Geometry & MOs

Info

ID:

80850

PubChem CID:

49846676

Reduced:

O6N9C40H49 (1)

Stoich.:

A6B9C40D49 (1)

Weight, g/mol:

596.01151

ΔHf, kcal/mol:

-183.55

Dipole, Da:

6.78

IP(EA), eV:

 -8.19(-0.6)

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)-N-(propylsulfamoyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CC=C(N4)C5=CC6=C(C=C5)N=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations