Geometry & MOs

Info

ID:	81664
PubChem CID:	49854983
Reduced:	O3N7H11C13 (1)
Stoich.:	A3B7C11D13 (1)
Weight, g/mol:	480.098267
ΔH_f, kcal/mol:	86.17
Dipole, Da:	5.62
IP(EA), eV:	-9.44(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-[(2,6-dimethoxypyridin-3-yl)amino]pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2C=N1)NNC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations