Geometry & MOs

Info

ID:	58751
PubChem CID:	24714814
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	6.52
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)NC(=N2)CN3CCCCC3)C(=O)OC

DOS

IR

Vibrations