Geometry & MOs

Info

ID:	167691
PubChem CID:	74858914
Reduced:	SN3O4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	452.209341
ΔH_f, kcal/mol:	-125.98
Dipole, Da:	3.68
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2-hydroxy-3-morpholin-4-ylpropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)CN(CC3=CC=CC=C3)CC(CC4=CC=CC=C4)O)C

DOS

IR

Vibrations