Geometry & MOs

Info

ID:	16585
PubChem CID:	473259
Reduced:	ClSO2N9C21H24 (1)
Stoich.:	ABC2D9E21F24 (1)
Weight, g/mol:	501.14622
ΔH_f, kcal/mol:	20.83
Dipole, Da:	11.12
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-pyrimidin-2-ylbenzenesulfonamide;1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations