Geometry & MOs

Info

ID:	26336
PubChem CID:	644656
Reduced:	OSN6H10C15 (1)
Stoich.:	ABC6D10E15 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	119.31
Dipole, Da:	6.18
IP(EA), eV:	-9.37(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CN(C1=NN=C(S1)C2=NC=CN=C2)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations