Geometry & MOs

Info

ID:

80135

PubChem CID:

49833203

Reduced:

O3N4C25H28 (1)

Stoich.:

A3B4C25D28 (1)

Weight, g/mol:

456.282652

ΔHf, kcal/mol:

-70.78

Dipole, Da:

4.55

IP(EA), eV:

 -8.61(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,5-trideuterio-3-[[4-deuterio-6-[[4,5,7-trideuterio-2,3-bis(trideuteriomethyl)indazol-6-yl]-(trideuteriomethyl)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(C6)O

DOS

IR

Vibrations