Geometry & MOs

Info

ID:

80258

PubChem CID:

49833761

Reduced:

O3N4C25H26 (1)

Stoich.:

A3B4C25D26 (1)

Weight, g/mol:

451.251269

ΔHf, kcal/mol:

-54.19

Dipole, Da:

2.46

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,5-trideuterio-3-[[4,5-dideuterio-6-[methyl-[4,5,7-trideuterio-3-methyl-2-(trideuteriomethyl)indazol-6-yl]amino]pyrimidin-2-yl]amino]-6-(trideuteriomethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5C6CCC5CC(=O)C6

DOS

IR

Vibrations