Geometry & MOs

Info

ID:	188574
PubChem CID:	77736519
Reduced:	SN4O4H14C18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.19
IP(EA), eV:	-9.71(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,4-dioxo-3-pyridin-4-yl-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3C=C(SC3=NC2=O)C(=O)OCC4=CC=NN4

DOS

IR

Vibrations