Geometry & MOs

Info

ID:	28232
PubChem CID:	826422
Reduced:	ClSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	340.092003
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	3.72
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethoxy-1,3,5-triazin-2-yl)-[(1,3-dioxoisoindol-2-yl)methyl]cyanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](CC3=CC=CC=C3SC2=C1)O)Cl

DOS

IR

Vibrations