Geometry & MOs

Info

ID:

80405

PubChem CID:

49834318

Reduced:

O2N4C25H30 (1)

Stoich.:

A2B4C25D30 (1)

Weight, g/mol:

448.232438

ΔHf, kcal/mol:

-39.75

Dipole, Da:

2.9

IP(EA), eV:

 -8.88(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@H](C1)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=C(C=C4)N=C(N5)C

DOS

IR

Vibrations