Geometry & MOs

Info

ID:	81093
PubChem CID:	49854344
Reduced:	BrSF2O3N5H16C18 (1)
Stoich.:	ABC2D3E5F16G18 (1)
Weight, g/mol:	545.111138
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	6.25
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-[2-methyl-3-(3,3,3-trifluoropropoxy)anilino]pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations