Geometry & MOs

Info

ID:	81380
PubChem CID:	49854663
Reduced:	BrClSO2N5C18H19 (1)
Stoich.:	ABCD2E5F18G19 (1)
Weight, g/mol:	447.03646
ΔH_f, kcal/mol:	94.88
Dipole, Da:	8.86
IP(EA), eV:	-9.0(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-(2-methylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)Br.Cl

DOS

IR

Vibrations