Geometry & MOs

Info

ID:	63346
PubChem CID:	26758119
Reduced:	O2S2N6C21H24 (1)
Stoich.:	A2B2C6D21E24 (1)
Weight, g/mol:	418.138953
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	5.04
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCC(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations