Geometry & MOs

Info

ID:	81007
PubChem CID:	49854247
Reduced:	ClSN5O5C22H26 (1)
Stoich.:	ABC5D5E22F26 (1)
Weight, g/mol:	521.149968
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	8.08
IP(EA), eV:	-8.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-[3-(2-hydroxy-2-methylpropoxy)-2-methylanilino]pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCCCO)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl

DOS

IR

Vibrations