Geometry & MOs

Info

ID:	81094
PubChem CID:	49854345
Reduced:	ClSF3O4N5C22H23 (1)
Stoich.:	ABC3D4E5F22G23 (1)
Weight, g/mol:	484.04873
ΔH_f, kcal/mol:	-251.67
Dipole, Da:	4.97
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCCC(F)(F)F)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl

DOS

IR

Vibrations