Geometry & MOs

Info

ID:	167694
PubChem CID:	74859083
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-95.19
Dipole, Da:	3.67
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[cyclopropyl(2-hydroxypropyl)amino]methyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC(=NC2=O)CN(CC(CCC=C)O)C3CC3)S1)C

DOS

IR

Vibrations