Geometry & MOs

Info

ID:	58851
PubChem CID:	24714966
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	6.4
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNC)C(=O)OCC=C

DOS

IR

Vibrations