Geometry & MOs

Info

ID:

80037

PubChem CID:

49832355

Reduced:

SN4O11C40H56 (1)

Stoich.:

AB4C11D40E56 (1)

Weight, g/mol:

446.219885

ΔHf, kcal/mol:

-491.17

Dipole, Da:

6.51

IP(EA), eV:

 -9.57(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)/C=C/[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C1=CC=CC=C1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations