Geometry & MOs

Info

ID:	27559
PubChem CID:	822169
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	18.25
Dipole, Da:	6.54
IP(EA), eV:	-8.83(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-diamino-6-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN2C3=C(C=NC2=C1C4=CC=C(C=C4)Cl)C(=O)CC(C3)(C)C

DOS

IR

Vibrations