Geometry & MOs

Info

ID:	60117
PubChem CID:	26675704
Reduced:	ClSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	420.077137
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	5.21
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations