Geometry & MOs

Info

ID:	342586
PubChem CID:	127265746
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	316.051778
ΔH_f, kcal/mol:	56.63
Dipole, Da:	4.63
IP(EA), eV:	-8.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CSC(=N1)N(C2CC2)C(=O)C)C3=NC=CN=C3

DOS

IR

Vibrations