Geometry & MOs

Info

ID:	28310
PubChem CID:	826962
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	343.083602
ΔH_f, kcal/mol:	3.32
Dipole, Da:	3.21
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl)OC

DOS

IR

Vibrations