Geometry & MOs

Info

ID:	81378
PubChem CID:	49854661
Reduced:	ClSN5O5C20H22 (1)
Stoich.:	ABC5D5E20F22 (1)
Weight, g/mol:	523.0525
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	5.98
IP(EA), eV:	-8.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-(2,5-dimethoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=C(C=CC(=C3)OC)OC)NS(=O)(=O)C

DOS

IR

Vibrations