Geometry & MOs

Info

ID:

80835

PubChem CID:

49846406

Reduced:

O2N3C18H23 (3)

Stoich.:

A2B3C18D23 (3)

Weight, g/mol:

596.01151

ΔHf, kcal/mol:

-200.62

Dipole, Da:

7.5

IP(EA), eV:

 -7.96(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(5-bromo-4,6-dideuteriopyrimidin-2-yl)oxy-2,2-dideuterioethoxy]-5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(propylsulfamoyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)[C@@H]4CC[C@H](N4C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations