Geometry & MOs

Info

ID:	11045
PubChem CID:	110212
Reduced:	ClSN4O4C12H13 (1)
Stoich.:	ABC4D4E12F13 (1)
Weight, g/mol:	344.034604
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	5.54
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)Cl

DOS

IR

Vibrations