Geometry & MOs

Info

ID:	121008
PubChem CID:	50753158
Reduced:	ClSO4N5C22H24 (1)
Stoich.:	ABC4D5E22F24 (1)
Weight, g/mol:	402.14741
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	8.14
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCOCC2)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations