Geometry & MOs

Info

ID:	80308
PubChem CID:	49833947
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	445.213608
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	4.93
IP(EA), eV:	-9.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C[C@H]1C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations