Geometry & MOs

Info

ID:	80444
PubChem CID:	49834484
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	445.213608
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	6.92
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4,5-dideuterio-6-[methyl-[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](C1=C2C(=CC=C1)OCCCO2)N.Cl

DOS

IR

Vibrations